SCHEMBL8770654

SCHEMBL8770654

CCN(CC)CCCCOc1ccc(/C(=C(/Cl)c2cccc(O)c2)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.69
▸ EBP Q15125 4/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ KCNH2 Q12809 2/20 0.69
▸ SIGMAR1 Q99720 2/20 0.69
▸ CHRM2 P08172 2/20 0.69
▸ ADRA2A P08913 2/20 0.69
▸ ADORA3 P0DMS8 2/20 0.69
▸ CHRM1 P11229 2/20 0.69
▸ PTGS1 P23219 2/20 0.69
▸ SLC6A2 P23975 2/20 0.69
▸ SLC6A4 P31645 2/20 0.69
▸ DRD3 P35462 2/20 0.69
▸ HTR6 P50406 2/20 0.69
▸ SLC6A3 Q01959 2/20 0.69
▸ CYP2D6 P10635 2/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ MAPT P10636 2/20 0.69
▸ IDH1 O75874 1/20 0.69

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
SCHEMBL8842347 1.00 ESR1 (0.69) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL8770296 1.00 ESR1 (0.69) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL8842179 0.97 ESR1 (0.71) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL8770364 0.97 ESR1 (0.71) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL8770122 0.97 ESR1 (0.71) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL14680644 0.90 ESR1 (0.82) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL8842752 0.90 ESR1 (0.77) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL8618664 0.90 ESR1 (0.77) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL8842478 0.90 ESR1 (0.77) ESR1EBPKMT2AKCNH2SIGMAR1
SCHEMBL8612338 0.90 ESR1 (0.77) ESR1EBPKMT2AKCNH2SIGMAR1

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
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
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
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