SCHEMBL12134465

SCHEMBL12134465

CCOC(COc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.65
▸ ESR1 P03372 13/20 0.64
▸ ESR2 Q92731 10/20 0.64
▸ CYP3A4 P08684 4/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2A6 P11509 2/20 0.64
▸ CYP3A5 P20815 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ PLD2 O14939 1/20 0.61
▸ ESRRB O95718 1/20 0.61
▸ PGR P06401 1/20 0.61
▸ ESRRG P62508 1/20 0.61

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
SCHEMBL12134466 0.89 CYP19A1 (0.67) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL12134462 0.86 PTGS2 (0.51) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL17787470 0.85 CYP19A1 (0.77) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL23851301 0.82 CYP19A1 (0.69) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL23851300 0.82 CYP19A1 (0.69) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL12468690 0.80 CYP19A1 (0.73) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL16233656 0.80 CYP19A1 (0.82) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL641723 0.80 CYP19A1 (0.73) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL18291054 0.80 ESR1 (0.82) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL641722 0.80 CYP19A1 (0.73) CYP19A1ESR1ESR2CYP3A4CYP1A2

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 2 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
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