SCHEMBL8770200

SCHEMBL8770200

COc1cccc(CC(O)(c2ccccc2)c2ccccc2OCCCCBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 4/20 0.40
▸ ABCB1 P08183 7/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL27977126 0.77 ALDH1A1 (0.45) CHRM3LMNAGAAHTTSMN1; SMN2
SCHEMBL8770617 0.75 CYP2C9 (0.40) LMNAGAAHTTADRA1AMRGPRX4
SCHEMBL10069982 0.72 LMNA (0.65) CHRM3LMNAGAAHTTSMN1; SMN2
SCHEMBL8770204 0.70 CHRM3 (0.40) CHRM3LMNAGAAHTTSMN1; SMN2
SCHEMBL27977121 0.68 TP53 (0.46) LMNASMN1; SMN2MAOBCYP3A4L3MBTL1
SCHEMBL7389768 0.67 MAPK1 (0.57) LMNASMN1; SMN2NPSR1MAOBMRGPRX4
SCHEMBL7495740 0.67 TAAR1 (0.43) ABCB1HTR1ADRD2ADRA1DADRA1A
SCHEMBL7387588 0.67 IDO1 (0.54) CHRM3ABCB1HTR1ADRD2MAOB
SCHEMBL8707174 0.67 EBP (0.56) CHRM3HTR1ADRD2HTTNPSR1
SCHEMBL20228977 0.67 MAOB (0.51) CHRM3ABCB1HTR1ADRD2MAOB

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
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
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
Send feedback