SCHEMBL8366275

SCHEMBL8366275

OCC/C(=C(/c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 18/20 0.67
▸ ESRRG P62508 14/20 0.67
▸ LMNA P02545 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ SLC6A2 P23975 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ CYP19A1 P11511 3/20 0.60
▸ ESR2 Q92731 3/20 0.59
▸ ESRRB O95718 2/20 0.58

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
SCHEMBL8366276 1.00 ESR1 (0.67) ESR1ESRRGLMNACYP1A2PTGS1
SCHEMBL9097507 1.00 ESR1 (0.67) ESR1ESRRGLMNACYP1A2PTGS1
SCHEMBL8364894 0.99 ESR1 (0.65) ESR1ESRRGLMNACYP1A2PTGS1
SCHEMBL8364891 0.99 ESR1 (0.65) ESR1ESRRGLMNACYP1A2PTGS1
SCHEMBL9859690 0.96 ESR1 (0.63) ESR1ESRRGLMNACYP1A2PTGS1
SCHEMBL9859681 0.96 ESR1 (0.63) ESR1ESRRGLMNACYP1A2PTGS1
SCHEMBL9859698 0.96 ESR1 (0.63) ESR1ESRRGLMNACYP1A2PTGS1
SCHEMBL8496798 0.87 ESR1 (0.53) ESR1ESRRGLMNACYP1A2PTGS1
SCHEMBL8367727 0.87 ESR1 (0.60) ESR1ESRRGCYP19A1ESR2ESRRB
SCHEMBL8367728 0.87 ESR1 (0.60) ESR1ESRRGCYP19A1ESR2ESRRB

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 4 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
US-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 — — US disclosed
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