SCHEMBL8969745

SCHEMBL8969745

CC(COCC1CO1)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 7/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.46
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
CYP3A4 P08684 4/20 0.38
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
AR P10275 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL16655607 0.84 TSHR (0.61) TSHRMAPK1ALDH1A1HPGDTP53
SCHEMBL217716 0.84 LMNA (0.53) TSHRMAPK1ALDH1A1HPGDTP53
SCHEMBL791565 0.84 TSHR (0.49) TSHRMAPK1ALDH1A1HPGDTP53
SCHEMBL11663394 0.84 MEN1 (0.55) TSHRMAPK1ALDH1A1HPGDTP53
Bisphenol A SCHEMBL50024 0.84 TSHR (0.61) TSHRMAPK1ALDH1A1HPGDTP53
SCHEMBL7111772 0.83 ALDH1A1 (0.69) TSHRMAPK1ALDH1A1HPGDTP53
Hydroquinone SCHEMBL50263 0.79 TSHR (0.48) TSHRMAPK1ALDH1A1HPGDTP53
SCHEMBL9764210 0.79 ESR1 (0.52) TSHRALDH1A1HPGDMEN1KMT2A
Bisphenol A SCHEMBL1036139 0.79 MEN1 (0.61) TSHRMAPK1ALDH1A1HPGDTP53
SCHEMBL452064 0.78 ESR2 (0.43) TSHRALDH1A1HPGDTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454004-B1 Polyarylate and process for preparing the same KANEGAFUCHI CHEMICAL IND (JP) 1996-07-24 EP claimed
EP-0454004-B1 Polyarylate and process for preparing the same KANEGAFUCHI CHEMICAL IND (JP) 1996-07-24 EP disclosed
EP-0311926-B1 Photopolymerisable composition MORTON INT INC (US) 1996-03-20 EP disclosed
US-5258483-A Polyarylate and process for preparing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA 1993-11-02 US disclosed
EP-0454004-A2 Polyarylate and process for preparing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-10-30 EP disclosed
EP-0311926-A2 Photopolymerisable composition MORTON INTERNATIONAL, INC. (US) 1989-04-19 EP disclosed
US-4332733-A CATALYTIC ISOMERIZATION OF DIELS-ALDER MALEIC ANHYDRIDE PRODUCTS MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1982-06-01 US disclosed
US-4294715-A ISOPROPYLATED DIPHENYLS, HYDROQUINONE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 1981-10-13 US disclosed
US-4206066-A ALUMINA A. B. CHANCE COMPANY (US) 1980-06-03 US disclosed