SCHEMBL906293

SCHEMBL906293

NCCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 15/20 0.90
▸ CYP19A1 P11511 14/20 0.90
▸ ESR2 Q92731 13/20 0.90
▸ CYP3A4 P08684 3/20 0.70
▸ LMNA P02545 1/20 0.70
▸ HTR6 P50406 1/20 0.70
▸ ESRRG P62508 2/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ CYP2A6 P11509 2/20 0.64
▸ CYP3A5 P20815 2/20 0.64
▸ CYP2D6 P10635 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
SCHEMBL9098770 1.00 ESR1 (0.90) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL9098766 1.00 ESR1 (0.90) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL28404807 0.95 CYP19A1 (1.00) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL24302096 0.95 CYP19A1 (1.00) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL22995790 0.95 CYP19A1 (1.00) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL17506000 0.91 CYP19A1 (0.78) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL19011568 0.90 HTR6 (0.75) ESR1CYP19A1ESR2CYP3A4LMNA
SCHEMBL17915615 0.90 HTR6 (0.75) ESR1CYP19A1ESR2CYP3A4LMNA
Ospemifene SCHEMBL948118 0.87 LMNA (0.71) ESR1CYP19A1ESR2LMNAHTR6
SCHEMBL9098639 0.87 CYP19A1 (0.72) ESR1CYP19A1ESR2CYP3A4ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413535-B1 ADMINISTERING CHLORINATED PHENYL COMPOUND THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-07-02 — — US claimed
US-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 — — US claimed
EP-2277514-A1 A method for chemoprevention of prostate cancer THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2011-01-26 — — EP disclosed
EP-0910354-B1 ANTIOXIDANT COMPOUNDS ORION CORP (FI) 2002-10-16 — — EP disclosed
US-6413533-B1 ADMINISTERING ANTIESTROGEN THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-07-02 — — US disclosed
US-6413534-B1 ADMINISTERING CHLORINATED PHENYL COMPOUND THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-07-02 — — US disclosed
US-6410043-B1 Method for chemoprevention of prostate cancer THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-06-25 — — US disclosed
US-6204295-B1 Antioxidant compounds ORION CORPORATION (FI) 2001-03-20 — — US disclosed
US-5929123-A LOWERING LEVELS OF SERUM LIPID PEROXIDES, PREVENTION AND TREATMENT OF ATHEROSCLEROSIS, ISCHEMIC INJURY, PSORIASIS, INFLAMMATORY DISEASE, CARDIOVASCULAR DISORDERS AND AIDS ORION CORPORATION (FI) 1999-07-27 — — US disclosed
EP-0910354-A1 ANTIOXIDANT COMPOUNDS ORION-YHTYMA OY (FI) 1999-04-28 — — EP disclosed
WO-1997041847-A1 ANTIOXIDANT COMPOUNDS Orion-Yhtymä Oy (FI) 1997-11-13 — — WO disclosed
US-5491173-A ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS ORION-YHTYMA OY (FI) 1996-02-13 — — US disclosed
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