SCHEMBL27468957

SCHEMBL27468957

COc1cccc(C(c2ccccc2)C(O)(OCCCCBr)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.38
▸ MTNR1A P48039 6/20 0.37
▸ MTNR1B P49286 6/20 0.37
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ GPR139 Q6DWJ6 2/20 0.34

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
SCHEMBL27484586 0.73 CHRM3 (0.34) KIF11
SCHEMBL7389768 0.67 MAPK1 (0.57) MTNR1AMTNR1BL3MBTL1TDP1
SCHEMBL6302107 0.66 MTNR1A (0.59) CASRMTNR1AMTNR1BAOC3L3MBTL1
SCHEMBL15923316 0.66 MAPK1 (0.56) MTNR1AMTNR1BL3MBTL1TDP1
SCHEMBL29696901 0.66 MAPK1 (0.56) MTNR1AMTNR1BL3MBTL1TDP1
SCHEMBL8552109 0.66 MAPK1 (0.56) MTNR1AMTNR1BL3MBTL1TDP1
SCHEMBL4450023 0.64 KCNA5 (0.51) CASRMTNR1AMTNR1BAOC3L3MBTL1
SCHEMBL4450026 0.64 KCNA5 (0.51) CASRMTNR1AMTNR1BAOC3L3MBTL1
SCHEMBL6891571 0.64 KIF11 (0.48) KIF11
SCHEMBL7784227 0.64 AOC3 (0.66) CASRMTNR1AMTNR1BAOC3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1167437-A Method of using triaryl-ethylene derivatives in the treatment and prevention of osteoporosis HOECHST MARION ROUSSEL INC (US) 1997-12-10 — — CN disclosed
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