SCHEMBL8516950

SCHEMBL8516950

C=CC[C@H]1CC[C@H](c2ccc(O)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 19/20 0.62
ESR1 P03372 7/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2D6 P10635 1/20 0.56
HDAC2 Q92769 1/20 0.45

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
SCHEMBL178493 1.00 ESR2 (0.62) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL8517074 0.95 ESR2 (0.63) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL8517256 0.95 ESR2 (0.57) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL8517248 0.95 ESR2 (0.57) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL8517252 0.95 ESR2 (0.57) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL8517075 0.95 ESR2 (0.63) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL8517080 0.95 ESR2 (0.63) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL11210601 0.91 ESR2 (0.47) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL11210597 0.91 ESR2 (0.47) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL10935713 0.85 ESR2 (0.43) ESR2ESR1CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4235939-A None JP disclosed
JP-59172438-A None JP disclosed
JP-58188841-A None JP disclosed
JP-58188840-A None JP disclosed
JP-58185579-A None JP disclosed
JP-58210046-A None JP disclosed
JP-58210047-A None JP disclosed
JP-5058925-A None JP disclosed
JP-58210045-A None JP disclosed
JP-57054148-A None JP disclosed
JP-S58210045-A 4-ALPHA,ALPHA,ALPHA-TRIFLUOROMETHYLBENZOIC ACID 4-(TRANS-4'- ALKYLCYCLOHEXYL)PHENYL ESTER CHISSO CORP 1983-12-07 JP disclosed
JP-S58188840-A PENTAFLUOROBENZOIC ACID TRANS-4-(TRANS-4'-ALKYL-CYCLOHEXYL) PHENYL ESTER CHISSO CORP 1983-11-04 JP disclosed
JP-S58188841-A 3,4-DICHLOROBENZOIC ACID TRANS-4-(TRANS-4'-ALKYL-CYCLOHEXYL) PHENYL ESTER CHISSO CORP 1983-11-04 JP disclosed
JP-S58185579-A LIQUID CRYSTAL ESTER COMPOUND SEIKO EPSON CORP 1983-10-29 JP disclosed
US-4405488-A LOW VISCOSITY, HIGH TRANSPARENT POINT CHISSO CORPORATION (JP) 1983-09-20 US disclosed
JP-S5770839-A TRANS-4-SUBSTITUTED CYCLOHEXANECARBOXYLIC ACID TRANS-4'-(TRANS-4\"-ALKYLCYCLOHEXYL) CYCLOHEXYL ESTER CHISSO CORP 1982-05-01 JP disclosed
JP-S5767539-A TRANS-4'-(TRANS-4\"-ALKYLCYCLOHEXYL)-CYCLOHEXYL 3-HALOGENOBENZOATE CHISSO CORP 1982-04-24 JP disclosed
JP-S5754148-A 4-HALOGENOBENZOIC ACID TRANS-4'(TRANS-4\"-ALKYLCYCLOHEXYL)CYCLOHEXYL ESTER CHISSO CORP 1982-03-31 JP disclosed
JP-S5732249-A 3-HALOGENOBENZOIC ACID 4'-(TRANS-4\"-ALKYLCYCLOHEXYL)PHENYL ESTER CHISSO CORP 1982-02-20 JP disclosed
JP-S5731645-A 4-HALOGENOBENZOIC ACID 4'-(TRANS-4\"-ALKYLCYCLOHEXYL)PHENYL ESTER CHISSO CORP 1982-02-20 JP disclosed