SCHEMBL6869336

SCHEMBL6869336

C=CC(O)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.46
CYP1A2 P05177 3/20 0.46
MAPT P10636 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 2/20 0.45
SMAD3 P84022 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.43
P4HB P07237 2/20 0.42
MAPK9 P45984 1/20 0.42
ACHE P22303 2/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
GABRA1 P14867 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2453938 0.89 PTGS1 (0.50) CYP3A4CYP1A2MAPTCYP2D6CYP2C9
SCHEMBL1599758 0.79 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7898797 0.79 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18626121 0.79 CYP3A4 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15184719 0.78 CYP3A4 (0.50) CYP3A4CYP1A2MAPTCYP2D6CYP2C9
SCHEMBL27675641 0.78 HSD17B10 (0.46) CYP3A4CYP1A2MAPTCYP2D6CYP2C9
SCHEMBL28062224 0.76 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29664492 0.76 KMT2A (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1155200 0.76 KMT2A (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL108101 0.74 CYP3A4 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140894-B1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA SPA (IT) 2003-12-17 EP claimed
US-6342613-B1 REACTING PYROCATECHOL WITH DIHALO- OR DI-ALKOXYALKANE, ACYLATING BENZO(1,3)DIOXOLE DERIVATIVE FORMED IN PRESENCE OF CATALYST, REDUCING TO 5-(ALPHA-HYDROXYALKYL)BENZO(1,3)DIOXOLE ENDURA S.P.A. (IT) 2002-01-29 US claimed
EP-1140894-A1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA S.p.A. (IT) 2001-10-10 EP claimed
WO-2000040575-A1 PROCESS FOR THE SYNTHESIS OF 5-(α -HYDROXYALKYL) BENZO[1, 3]DIOXOLS ENDURA S.P.A. (IT) 2000-07-13 WO claimed
US-6818428-B1 FOR DIAGNOSING SPONDYLOEPIMETAPHYSEAL DYSPLASIA (SEMD)/DETECTION OF ALLELES IN HUMANS; GENE/PROTEIN THERAPY; FUSION PROTEINS; HIV TAT GENES/PROTEINS CEDARS SINAI MEDICAL CENTER 2004-11-16 US disclosed
CN-1138769-C Process for synthesis of 5-(-hydroxyalkyl) benzo [1,3] dioxols �����ɷ� 2004-02-18 CN disclosed
EP-1140894-B1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA SPA (IT) 2003-12-17 EP disclosed
EP-1140894-B1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA SPA (IT) 2003-12-17 EP disclosed
US-20030195162-A1 Genetic marker for spondyloepimetaphyseal dysplasia NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 US disclosed
US-6342613-B1 REACTING PYROCATECHOL WITH DIHALO- OR DI-ALKOXYALKANE, ACYLATING BENZO(1,3)DIOXOLE DERIVATIVE FORMED IN PRESENCE OF CATALYST, REDUCING TO 5-(ALPHA-HYDROXYALKYL)BENZO(1,3)DIOXOLE ENDURA S.P.A. (IT) 2002-01-29 US disclosed
US-6342613-B1 REACTING PYROCATECHOL WITH DIHALO- OR DI-ALKOXYALKANE, ACYLATING BENZO(1,3)DIOXOLE DERIVATIVE FORMED IN PRESENCE OF CATALYST, REDUCING TO 5-(ALPHA-HYDROXYALKYL)BENZO(1,3)DIOXOLE ENDURA S.P.A. (IT) 2002-01-29 US disclosed
US-6342613-B1 REACTING PYROCATECHOL WITH DIHALO- OR DI-ALKOXYALKANE, ACYLATING BENZO(1,3)DIOXOLE DERIVATIVE FORMED IN PRESENCE OF CATALYST, REDUCING TO 5-(ALPHA-HYDROXYALKYL)BENZO(1,3)DIOXOLE ENDURA S.P.A. (IT) 2002-01-29 US disclosed
US-6153429-A TISSUES TRANSFECTED WITH A RECOMBINANT NUCLEIC ACID MOLECULE FROM A BOVINE PAPILLOMA VIRUS; FOR THE DETECTION OF ANTICARCINOGENIC COMPOUNDS VERA GENICS LTD. (CA) 2000-11-28 US disclosed
EP-1025206-A1 CELL LINES USEFUL FOR (IN VITRO) ASSAY FOR IDENTIFICATION OF CARCINOGENS Viratest Carcinogen Monitoring, Ltd. (CA) 2000-08-09 EP disclosed
WO-2000040575-A1 PROCESS FOR THE SYNTHESIS OF 5-(α -HYDROXYALKYL) BENZO[1, 3]DIOXOLS ENDURA S.P.A. (IT) 2000-07-13 WO disclosed
WO-2000040575-A1 PROCESS FOR THE SYNTHESIS OF 5-(α -HYDROXYALKYL) BENZO[1, 3]DIOXOLS ENDURA S.P.A. (IT) 2000-07-13 WO disclosed
WO-1999020743-A1 CELL LINES USEFUL FOR IN VITRO ASSAY FOR IDENTIFICATION OF CARCINOGENS VIRATEST CARCINOGEN MONITORING LTD. (US) 1999-04-29 WO disclosed
EP-0891547-A1 $i(IN VITRO) ASSAY FOR IDENTIFICATION OF CARCINOGENS Viratest Carcinogen Monitoring, Ltd. (CA) 1999-01-20 EP disclosed
US-5821049-A In vitro assay for identification of carcinogens VIRATEST CARCINOGEN MONITORING, LTD (CA) 1998-10-13 US disclosed
WO-1997038308-A1 IN VITRO ASSAY FOR IDENTIFICATION OF CARCINOGENS VIRATEST CARCINOGEN MONITORING, LTD. (CA) 1997-10-16 WO disclosed