SCHEMBL1832059

SCHEMBL1832059

CC(=CC(C=C(C)C(=O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1)(OCC1CO1)C1CO1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
HIF1A Q16665 1/20 0.42
MIF P14174 1/20 0.34
ESR1 P03372 2/20 0.30
CYP3A4 P08684 2/20 0.30
ESR2 Q92731 2/20 0.30
AR P10275 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR6 P50406 1/20 0.30
ESRRG P62508 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL2701815 0.80 HPGD (0.43) HPGDTSHRTP53MAPTMEN1
SCHEMBL8410971 0.78 ALDH1A1 (0.42) TSHRTP53ALDH1A1CYP3A4
SCHEMBL7633166 0.77 HPGD (0.45) HPGDTSHRTP53MAPTMEN1
Methacrylic Acid SCHEMBL3864596 0.76 KMT2A (0.47) HPGDTSHRTP53MAPTMEN1
SCHEMBL7923720 0.74 KMT2A (0.50) HPGDTSHRTP53MAPTMEN1
Bicarbonate SCHEMBL10771552 0.73 TSHR (0.53) HPGDTSHRTP53MAPTMEN1
SCHEMBL11861222 0.71 ALDH1A1 (0.46) HPGDTSHRTP53MAPTMEN1
Bisphenol A SCHEMBL29483356 0.71 HPGD (0.43) HPGDTSHRTP53MAPTMEN1
SCHEMBL9011361 0.71 ALDH1A1 (0.51) HPGDTSHRTP53MAPTMEN1
Fumaric Acid SCHEMBL11129348 0.71 ALDH1A1 (0.68) HPGDTSHRTP53MAPTMEN1

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-1326573-B1 ADHESIVE FOR USE IN THE ORAL ENVIRONMENT HAVING COLOR-CHANGING CAPABILITIES 3M INNOVATIVE PROPERTIES CO (US) 2016-08-24 EP claimed
EP-1834975-B1 Thermosetting poly(phenylene ether) SABIC INNOVATIVE PLASTICS IP (NL) 2011-05-11 EP claimed
EP-1387860-B1 MOULDING COMPOSITION FOR PRODUCING BIPOLAR PLATES HUNTSMAN ADV MAT SWITZERLAND (CH) 2005-07-20 EP claimed
EP-0816393-B1 Curing agent for epoxy resins VANTICO AG (CH) 2003-11-19 EP claimed
EP-0816393-A2 Curing agent for epoxy resins Ciba SC Holding AG (CH) 1998-01-07 EP claimed
EP-0742264-B1 Composition based on dicyclopentadienyloxy ester of (meth)acrylic acid and their use in the field of construction ATOCHEM ELF SA (FR) 1997-10-29 EP claimed
EP-1849450-B1 Dental composition based on a radically polymerisable antibacterial macromonomer IVOCLAR VIVADENT AG (LI) 2009-11-25 EP disclosed
US-20090208893-A1 Insertion, Devices, Methods and System for Use in Dentistry APROXI APS (DK) 2009-08-20 US disclosed
EP-1827295-B1 PREMANUFACTURED DENTAL INSERT APROXI APS (DK) 2009-01-21 EP disclosed
EP-1849450-A1 Dental composition based on a radically polymerisable antibacterial macromonomer Ivoclar Vivadent AG (LI) 2007-10-31 EP disclosed
EP-1827295-A1 INSERTION, DEVICES, METHODS AND SYSTEM FOR USE IN DENTISTRY Aproxi APS (DK) 2007-09-05 EP disclosed
WO-2006063589-A1 INSERTION, DEVICES, METHODS AND SYSTEM FOR USE IN DENTISTRY APROXI APS (DK) 2006-06-22 WO disclosed
EP-1648392-A1 X-RAY OPAQUE DENTAL MATERIAL COMPRISING SURFACE-MODIFIED NANOPARTICLES Nanosolutions GmbH (DE) 2006-04-26 EP disclosed
EP-1163280-B1 EPOXY RESIN COMPOSITIONS HAVING A LONG SHELF LIFE VANTICO AG (CH) 2002-11-06 EP disclosed
EP-1163280-A1 EPOXY RESIN COMPOSITIONS HAVING A LONG SHELF LIFE Vantico AG (CH) 2001-12-19 EP disclosed
WO-2000055234-A1 EPOXY RESIN COMPOSITIONS HAVING A LONG SHELF LIFE VANTICO AG (CH) 2000-09-21 WO disclosed
EP-0853099-A2 Thixotropic agent for cycloolefins Ciba SC Holding AG (CH) 1998-07-15 EP disclosed
EP-0816393-A2 Curing agent for epoxy resins Ciba SC Holding AG (CH) 1998-01-07 EP disclosed
EP-0399954-A2 Reinforcing material CIBA-GEIGY AG (CH) 1990-11-28 EP disclosed
WO-1990008176-A1 ANAEROBICALLY CURING SEALING COMPOUNDS AND THEIR USE FOR SEALING PIPE CONNECTIONS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-07-26 WO disclosed