SCHEMBL9821044

SCHEMBL9821044

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
RORC P51449 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MIF P14174 5/20 0.38
ALDH1A1 P00352 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL10410332 0.86 ATM (0.43) ESR2RORCATML3MBTL1MIF
SCHEMBL10410215 0.86 ATM (0.43) ESR2RORCATML3MBTL1MIF
SCHEMBL10411315 0.86 ATM (0.43) ESR2RORCATML3MBTL1MIF
SCHEMBL8907518 0.83 ESR1 (0.43) ESR1ESR2L3MBTL1ALDH1A1CA12
SCHEMBL9821032 0.80 ESR2 (0.53) ESR1ESR2RORCCA12CA1
SCHEMBL10453072 0.78 ACHE (0.51) ESR1ESR2RORCATML3MBTL1
SCHEMBL10453324 0.78 ESR1 (0.39) ESR1ESR2ATML3MBTL1MIF
SCHEMBL30249996 0.75 ALDH1A1 (0.46) ATML3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7183973 0.74 ESR2 (0.55) ESR1ESR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL25141743 0.73 ESR2 (0.55) ESR1ESR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
US-4814488-A STARTING MATERIALS FOR POLYMERS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-03-21 US disclosed
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 disclosed
US-4755617-A Process for the preparation of 4'-hydroxybiphenyl-4-carboxyl acid MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-07-05 US 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