SCHEMBL5347146

SCHEMBL5347146

Nc1ccc(C(O)(Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP1A2 P05177 2/20 0.56
HIF1A Q16665 2/20 0.56
CYP3A4 P08684 1/20 0.56
KCNA5 P22460 1/20 0.56
MAOB P27338 5/20 0.48
MAOA P21397 3/20 0.48
CYP2D6 P10635 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KIF11 P52732 2/20 0.41
FDPS P14324 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL912792 0.89 CYP2C9 (0.67) CYP2C9CYP2C19CYP1A2HIF1ACYP3A4
Phosphine SCHEMBL11171774 0.87 CYP2C9 (0.64) CYP2C9CYP2C19CYP1A2HIF1ACYP3A4
SCHEMBL28827443 0.82 CYP2C9 (0.54) CYP2C9CYP2C19CYP1A2HIF1ACYP3A4
SCHEMBL2596073 0.81 MAOB (0.54) CYP2C9CYP2C19CYP1A2HIF1ACYP3A4
SCHEMBL9859960 0.80 CYP2C9 (0.51) CYP2C9CYP2C19CYP1A2HIF1ACYP3A4
SCHEMBL11623432 0.80 SMN1; SMN2 (0.43) CYP2C9CYP2C19CYP1A2HIF1ACYP3A4
SCHEMBL9837849 0.78 LMNA (0.55) CYP2C9CYP2C19CYP1A2HIF1ACYP3A4
SCHEMBL7069678 0.78 CYP2C9 (0.50) CYP2C9CYP2C19CYP1A2HIF1ACYP3A4
SCHEMBL8218323 0.76 TSHR (0.48) CYP2C9CYP2C19CYP1A2CYP3A4MAOB
SCHEMBL5873436 0.76 HTT (0.53) CYP2C9CYP2C19CYP1A2HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007098090-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH N-OXIDES OF ESTROGEN RECEPTOR MODULATORS NOVACEA, INC. (US) 2007-08-30 WO disclosed
CN-1167437-A Method of using triaryl-ethylene derivatives in the treatment and prevention of osteoporosis HOECHST MARION ROUSSEL INC (US) 1997-12-10 CN disclosed
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