SCHEMBL8613926

SCHEMBL8613926

ClCCCCOc1ccc(C(=C(Cl)c2ccccc2)c2ccc(OCCCCCl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.63
▸ EBP Q15125 4/20 0.63
▸ HTR6 P50406 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ ADORA3 P0DMS8 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ MAPT P10636 3/20 0.63
▸ KCNH2 Q12809 2/20 0.63
▸ SIGMAR1 Q99720 2/20 0.63
▸ CHRM2 P08172 2/20 0.63
▸ ADRA2A P08913 2/20 0.63
▸ CHRM1 P11229 2/20 0.63
▸ PTGS1 P23219 2/20 0.63
▸ SLC6A2 P23975 2/20 0.63
▸ SLC6A4 P31645 2/20 0.63
▸ DRD3 P35462 2/20 0.63
▸ SLC6A3 Q01959 2/20 0.63
▸ CYP2D6 P10635 2/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ ADRA1A P35348 2/20 0.63

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
SCHEMBL8639615 1.00 ESR1 (0.63) ESR1EBPHTR6KMT2AADORA3
SCHEMBL8639618 1.00 ESR1 (0.63) ESR1EBPHTR6KMT2AADORA3
SCHEMBL8639612 1.00 ESR1 (0.63) ESR1EBPHTR6KMT2AADORA3
SCHEMBL8644018 0.98 ESR1 (0.62) ESR1EBPHTR6KMT2AADORA3
SCHEMBL8644014 0.98 ESR1 (0.62) ESR1EBPHTR6KMT2AADORA3
SCHEMBL8644016 0.98 ESR1 (0.62) ESR1EBPHTR6KMT2AADORA3
SCHEMBL8770194 0.94 ESR1 (0.58) ESR1EBPHTR6KMT2AADORA3
SCHEMBL8642207 0.94 ESR1 (0.58) ESR1EBPHTR6KMT2AADORA3
SCHEMBL8770160 0.92 ESR1 (0.55) ESR1EBPHTR6KMT2AADORA3
SCHEMBL17470686 0.84 CYP19A1 (0.69) ESR1EBPHTR6KMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720597-B1 TRIARYL-ETHYLENE DERIVATIVES FOR USE IN THERAPY MERRELL PHARMA INC (US) 1998-04-29 — — EP disclosed
US-5693674-A Method of using triaryl-ethylene derivatives in the treatment and prevention of osteoporosis HOECHST MARION ROUSSEL, INC. (US) 1997-12-02 — — US disclosed
US-5691384-A Method of using triaryl-ethylene derivatives in the treatment and prevention of osteoporosis HOECHST MARION ROUSSEL, INC. (US) 1997-11-25 — — US disclosed
US-5684004-A ANTINEOPLASTIC AGENTS, ANTIATHEROSCLEROTIC AGENTS, HYPOCHOLESTEROLEMIC AGENTS MERRELL PHARMACEUTICALS, INC. (US) 1997-11-04 — — US disclosed
EP-0794771-A1 METHOD OF USING TRIARYL-ETHYLENE DERIVATIVES IN THE TREATMENT AND PREVENTION OF OSTEOPOROSIS HOECHST MARION ROUSSEL, INC. (US) 1997-09-17 — — EP disclosed
EP-0720597-A1 TRIARYL-ETHYLENE DERIVATIVES FOR USE IN THERAPY MERRELL PHARMACEUTICALS INC. (US) 1996-07-10 — — EP disclosed
US-5525633-A ANTITUMOR AGENTS, ANTICHOLESTEROL AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1996-06-11 — — US disclosed
WO-1996016646-A1 METHOD OF USING TRIARYL-ETHYLENE DERIVATIVES IN THE TREATMENT AND PREVENTION OF OSTEOPOROSIS HOECHST MARION ROUSSEL, INC. (US) 1996-06-06 — — WO disclosed
WO-1995008528-A1 TRIARYL-ETHYLENE DERIVATIVES FOR USE IN THERAPY MERRELL PHARMACEUTICALS INC. (US) 1995-03-30 — — WO disclosed
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