SCHEMBL8362770

SCHEMBL8362770

ClCC/C(=C(/c1ccc(OCCOCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.63
▸ CYP19A1 P11511 7/20 0.63
▸ ESR2 Q92731 6/20 0.63
▸ LMNA P02545 1/20 0.61
▸ HTR6 P50406 1/20 0.61
▸ ESRRG P62508 6/20 0.60
▸ NR4A1 P22736 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ ESRRB O95718 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ CYP3A5 P20815 1/20 0.44

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
SCHEMBL8362771 1.00 ESR1 (0.63) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL8365180 0.99 ESR1 (0.61) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL8365178 0.99 ESR1 (0.61) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL8365177 0.99 ESR1 (0.61) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL7109996 0.97 ESR1 (0.66) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL7109988 0.97 ESR1 (0.66) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL7519055 0.97 ESR1 (0.66) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL5727007 0.97 ESR1 (0.66) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL6374444 0.96 ESR1 (0.65) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL6373225 0.96 ESR1 (0.65) ESR1CYP19A1ESR2LMNAHTR6

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
EP-0779808-B1 TRIPHENYLETHYLENES FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS ORION YHTYMAE OY (FI) 1999-08-18 — — EP disclosed
EP-0779808-A1 TRIPHENYLETHYLENES FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS ORION-YHTYMÄ OY (FI) 1997-06-25 — — EP disclosed
WO-1996007402-A1 TRIPHENYLETHYLENES FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS Orion-Yhtymä Oy (FI) 1996-03-14 — — WO disclosed
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