SCHEMBL12134462

SCHEMBL12134462

CCOC(COc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(OCc3ccc(OC)cc3)cc2)cc1)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ CYP19A1 P11511 7/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ ESR1 P03372 10/20 0.48
▸ ESR2 Q92731 6/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ CYP3A5 P20815 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ GBA1 P04062 1/20 0.47
▸ NR3C1 P04150 1/20 0.47
▸ ERBB2 P04626 1/20 0.47

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
SCHEMBL12282569 0.90 LMNA (0.49) PTGS2ABCG2CYP19A1ESR1ESR2
SCHEMBL12134465 0.86 CYP19A1 (0.65) CYP19A1CYP3A4ESR1ESR2CYP1A2
SCHEMBL12134458 0.85 CYP19A1 (0.67) PTGS2CYP19A1CYP3A4ESR1ESR2
SCHEMBL12135181 0.79 CYP19A1 (0.52) ABCG2CYP19A1CYP3A4ESR1ESR2
SCHEMBL5988741 0.78 PPARA (0.53) PTGS2CYP1A2MAPTRAB9APTGS1
SCHEMBL10780099 0.78 PTGS2 (0.76) PTGS2CYP19A1CYP3A4ESR1ESR2
SCHEMBL12134466 0.78 CYP19A1 (0.67) CYP19A1CYP3A4ESR1ESR2CYP1A2
SCHEMBL12134455 0.77 PTGS2 (0.50) PTGS2ABCG2CYP19A1CYP3A4ESR1
SCHEMBL641723 0.77 CYP19A1 (0.73) PTGS2CYP19A1CYP3A4ESR1ESR2
SCHEMBL12468690 0.77 CYP19A1 (0.73) PTGS2CYP19A1CYP3A4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063249-B1 Substituted triphenyl butenes OLEMA PHARMACEUTICALS, INC. (US) 2011-11-22 — — US disclosed
US-8063249-B1 Substituted triphenyl butenes OLEMA PHARMACEUTICALS, INC. (US) 2011-11-22 — — US disclosed
WO-2009120999-A2 USE OF AN ENDOXIFEN PRODRUG FOR TREATMENT OF BREAST CANCER OLEMA PHARMACEUTICALS, INC. (US) 2009-10-01 — — WO disclosed
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