SCHEMBL9099398

SCHEMBL9099398

CNCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccc(O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 18/20 0.76
▸ CYP19A1 P11511 7/20 0.76
▸ ESRRG P62508 5/20 0.76
▸ ESR2 Q92731 5/20 0.72
▸ LMNA P02545 1/20 0.63
▸ HTR6 P50406 1/20 0.63
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2A6 P11509 1/20 0.55
▸ CYP3A5 P20815 1/20 0.55
▸ ESRRB O95718 1/20 0.55

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
SCHEMBL906340 1.00 ESR1 (0.76) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL906339 1.00 ESR1 (0.76) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL906306 0.95 HTR6 (0.69) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL906307 0.95 HTR6 (0.69) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL5725379 0.95 HTR6 (0.69) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL9097768 0.91 ESR1 (0.63) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL9097781 0.91 ESR1 (0.63) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL9097774 0.91 ESR1 (0.63) ESR1CYP19A1ESRRGESR2LMNA
SCHEMBL23183595 0.89 ESR1 (0.82) ESR1CYP19A1ESRRGESR2CYP1A2
Endoxifen SCHEMBL14391818 0.86 ESR1 (1.00) ESR1CYP19A1ESRRGESR2LMNA

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
WO-2011129837-A1 USE OF A 4-HYDROXYTOREMIFENE PRODRUG FOR TREATMENT OF BREAST CANCER OLEMA PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 — — US disclosed
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