SCHEMBL7129302

SCHEMBL7129302

C=CC(O)C1=COC(c2ccccc2)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL17260882 0.69 EPHX1 (0.36) MEN1CYP2C19KMT2ASIRT1EPHX1
SCHEMBL7938848 0.63 KMT2A (0.40) MEN1CYP2C19KMT2ASIRT1EPHX1
SCHEMBL21617570 0.62 MEN1 (0.55) MEN1CYP2C19KMT2ASIRT1
SCHEMBL13090620 0.62 TSHR (0.43) CYP2C19
SCHEMBL3893413 0.62 TSHR (0.43) CYP2C19
SCHEMBL96576 0.62 TSHR (0.43) CYP2C19
SCHEMBL7071503 0.61 EPHX1 (0.31) EPHX1
SCHEMBL5776726 0.61 TSHR (0.38) MEN1CYP2C19KMT2ASIRT1
Ammonia Solution, Strong SCHEMBL5430573 0.60 TSHR (0.42) CYP2C19
SCHEMBL3579154 0.60 MEN1 (0.34) MEN1CYP2C19KMT2ASIRT1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-1332736-A Process for synthesis of 5-(-hydroxyalkyl) benzo [1,3] dioxols ENDURA SPA (IT) 2002-01-23 CN disclosed
EP-1140894-A1 PROCESS FOR THE SYNTHESIS OF 5-(ALPHA -HYDROXYALKYL) BENZO 1, 3]DIOXOLS ENDURA S.p.A. (IT) 2001-10-10 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