SCHEMBL8770204

SCHEMBL8770204

COc1cccc(CC(O)(c2ccccc2)C2(OCCCCBr)C=CC=CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 6/20 0.40
▸ SIGMAR1 Q99720 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MEP1B Q16820 1/20 0.32
▸ GPR52 Q9Y2T5 1/20 0.32
▸ GGPS1 O95749 1/20 0.32
▸ CALM1 P0DP23 1/20 0.32
▸ CAMKK2 Q96RR4 1/20 0.32

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
SCHEMBL8770618 0.79 CYP1A2 (0.33) CHRM3CHRM2CHRM1
SCHEMBL8770200 0.70 CHRM3 (0.40) CHRM3LMNAGAAHTTSMN1; SMN2
SCHEMBL7387588 0.63 IDO1 (0.54) CHRM3CHRM2CHRM1
SCHEMBL20228977 0.63 MAOB (0.51) CHRM3SIGMAR1CHRM2CHRM1CALM1
SCHEMBL27530402 0.62 CHRM2 (0.61) CHRM3SIGMAR1CHRM2CHRM1
SCHEMBL7386591 0.62 IDO1 (0.53) CHRM3CHRM2CHRM1
SCHEMBL27468957 0.62 CASR (0.38) —
SCHEMBL27698267 0.62 CYP1A2 (0.51) CHRM3HTTSMN1; SMN2MEN1KMT2A
SCHEMBL4480826 0.61 CHRM2 (0.59) CHRM3SIGMAR1CHRM2CHRM1
SCHEMBL10069982 0.61 LMNA (0.65) CHRM3SIGMAR1LMNAGAAHTT

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
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