SCHEMBL4729440

SCHEMBL4729440

COc1ccc2c(c1)OC(C)(C)c1c(C(=O)O)nn(-c3ccc(Cl)cc3Cl)c1-2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.43
▸ CNR2 P34972 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MARS1 P56192 2/20 0.40

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
SCHEMBL4731233 0.91 LMNA (0.44) CNR1CNR2LMNAMARS1
Hydrochloric Acid SCHEMBL4730235 0.91 ALDH1A1 (0.45) CNR1CNR2
SCHEMBL4730544 0.90 CNR2 (0.42) CNR1CNR2LMNAMARS1
SCHEMBL4730288 0.89 CNR2 (0.42) CNR1CNR2LMNAMARS1
SCHEMBL4730638 0.87 MARS1 (0.43) CNR1CNR2LMNAMARS1
SCHEMBL4730418 0.85 CNR2 (0.43) CNR1CNR2LMNAMARS1
SCHEMBL4728972 0.85 MARS1 (0.48) CNR1CNR2MARS1
SCHEMBL4729313 0.85 CNR1 (0.44) CNR1CNR2MARS1
Hydrochloric Acid SCHEMBL4726469 0.84 CNR1 (0.61) CNR1CNR2
Hydrochloric Acid SCHEMBL4732078 0.84 CNR2 (0.56) CNR1CNR2

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
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 — — WO disclosed
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