SCHEMBL8770617

SCHEMBL8770617

OC(Cc1ccccc1)(c1ccccc1)c1ccccc1OCCCCCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL8770200 0.75 CHRM3 (0.40) CYP2C9CYP1A2CYP2C19CYP3A4MRGPRX4
SCHEMBL8770550 0.74 LMNA (0.47) CYP1A2CYP2C19HIF1AALDH1A1KDM4E
SCHEMBL9621461 0.72 CYP2C9 (0.53) CYP2C9CYP1A2CYP2C19CYP3A4HIF1A
SCHEMBL912792 0.71 CYP2C9 (0.67) CYP2C9CYP1A2CYP2C19CYP3A4HIF1A
SCHEMBL10816083 0.70 HTR1B (0.42) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
Phosphine SCHEMBL11171774 0.69 CYP2C9 (0.64) CYP2C9CYP1A2CYP2C19CYP3A4HIF1A
SCHEMBL11091669 0.69 KDM4E (0.52) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL11090671 0.67 KDM4E (0.50) CYP2C9CYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL5726192 0.66 CHRM4 (0.55) KDM4EMAPK1CYP2D6LMNAHTR2A
SCHEMBL27977085 0.66 MEN1 (0.45) CYP2C9CYP1A2CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693674-A Method of using triaryl-ethylene derivatives in the treatment and prevention of osteoporosis HOECHST MARION ROUSSEL, INC. (US) 1997-12-02 — — US disclosed
US-5691384-A Method of using triaryl-ethylene derivatives in the treatment and prevention of osteoporosis HOECHST MARION ROUSSEL, INC. (US) 1997-11-25 — — US disclosed
EP-0794771-A1 METHOD OF USING TRIARYL-ETHYLENE DERIVATIVES IN THE TREATMENT AND PREVENTION OF OSTEOPOROSIS HOECHST MARION ROUSSEL, INC. (US) 1997-09-17 — — EP disclosed
WO-1996016646-A1 METHOD OF USING TRIARYL-ETHYLENE DERIVATIVES IN THE TREATMENT AND PREVENTION OF OSTEOPOROSIS HOECHST MARION ROUSSEL, INC. (US) 1996-06-06 — — WO disclosed
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