SCHEMBL9821032

SCHEMBL9821032

O=C(O)C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.53
ESR1 P03372 3/20 0.53
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
GRM4 Q14833 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
LMNA P02545 1/20 0.39
GRM5 P41594 1/20 0.39
MTOR P42345 1/20 0.39
GRM1 Q13255 1/20 0.39
PLCB1 Q9NQ66 1/20 0.39
TSHR P16473 1/20 0.39
RORC P51449 1/20 0.37
CPT1B Q92523 1/20 0.36
ITGB3 P05106 1/20 0.35

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
SCHEMBL9682242 0.85 MEN1 (0.48) LMNANPC1RAB9ACYP2D6CYP2C9
SCHEMBL10490539 0.80 ESR2 (0.52) ESR2ESR1GRM2GRM3GRM4
SCHEMBL9821044 0.80 ESR1 (0.47) ESR2ESR1TSHRRORCNPC1
Hydroquinone SCHEMBL9422498 0.80 NPC1 (0.48) ESR2ESR1ALOX15TDP1LMNA
SCHEMBL45825 0.78 ESR2 (0.64) ESR2ESR1ALOX15LMNAMTOR
SCHEMBL8908857 0.76 ESR2 (0.61) ESR2ESR1
SCHEMBL8907518 0.76 ESR1 (0.43) ESR2ESR1LMNATSHRCA12
SCHEMBL3811364 0.75 ESR2 (0.80) ESR2ESR1ALOX15LMNAMTOR
SCHEMBL7530533 0.75 ESR2 (0.80) ESR2ESR1ALOX15LMNAMTOR
SCHEMBL237553 0.75 ESR2 (0.59) ESR2ESR1CYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240362-B1 PROCESS FOR THE PREPARATION OF 4'-HYDROXYBIPHENYL-4-CARBOXYLIC ACID MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-12-11 EP claimed
EP-0238305-B1 4,4-BIS(4-HYDROXYPHENYL)CYCLOHEXANECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP claimed
US-4814488-A STARTING MATERIALS FOR POLYMERS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-03-21 US claimed
US-4755616-A 4,4-bis(4-hydroxyphenyl)cyclohexanecarboxylic acid derivatives and process for preparing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-07-05 US claimed
US-4755617-A Process for the preparation of 4'-hydroxybiphenyl-4-carboxyl acid MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-07-05 US claimed
EP-0240362-A2 Process for the preparation of 4'-hydroxybiphenyl-4-carboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-10-07 EP claimed
EP-0238305-A1 4,4-Bis(4-hydroxyphenyl)cyclohexanecarboxylic acid derivatives and process for preparing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-09-23 EP claimed
JP-1289827-A None JP disclosed
JP-62238235-A None JP disclosed
JP-63014756-A None JP disclosed
EP-0240362-B1 PROCESS FOR THE PREPARATION OF 4'-HYDROXYBIPHENYL-4-CARBOXYLIC ACID MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-12-11 EP disclosed
EP-0238305-B1 4,4-BIS(4-HYDROXYPHENYL)CYCLOHEXANECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed
JP-H01289827-A NEW AROMATIC POLYESTER AND ITS PRODUCTION MITSUI TOATSU CHEM INC 1989-11-21 JP disclosed
JP-S6314756-A PRODUCTION OF 4'-HYDROXYBIPHENYL-4-CARBOXYLIC ACID MITSUI TOATSU CHEM INC 1988-01-21 JP disclosed
JP-S62238235-A PRODUCTION OF 4'-HYDROXYBIPHENYL-4-CARBOXYLIC ACID MITSUI TOATSU CHEM INC 1987-10-19 JP disclosed
EP-0240362-A2 Process for the preparation of 4'-hydroxybiphenyl-4-carboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-10-07 EP disclosed
EP-0240362-A2 Process for the preparation of 4'-hydroxybiphenyl-4-carboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-10-07 EP disclosed
EP-0238305-A1 4,4-Bis(4-hydroxyphenyl)cyclohexanecarboxylic acid derivatives and process for preparing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-09-23 EP disclosed
EP-0238305-A1 4,4-Bis(4-hydroxyphenyl)cyclohexanecarboxylic acid derivatives and process for preparing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-09-23 EP disclosed
EP-0238305-A1 4,4-Bis(4-hydroxyphenyl)cyclohexanecarboxylic acid derivatives and process for preparing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-09-23 EP disclosed