SCHEMBL11323616

SCHEMBL11323616

CCc1cc(OC(C)=O)c2c(c1)OC(C)(C)c1ccncc1-2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.44
▸ CCNC P24863 16/20 0.41
▸ CDK8 P49336 16/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ HASPIN Q8TF76 15/20 0.41
▸ CDK19 Q9BWU1 6/20 0.40
▸ TRPA1 O75762 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ TRPV2 Q9Y5S1 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
SCHEMBL11323625 0.90 CNR2 (0.51) CNR2CCNCCDK8CNR1HASPIN
SCHEMBL11321754 0.89 CNR2 (0.54) CNR2CCNCCDK8CNR1HASPIN
SCHEMBL11319347 0.88 CNR2 (0.54) CNR2CCNCCDK8CNR1HASPIN
SCHEMBL11340123 0.88 CNR2 (0.54) CNR2CCNCCDK8CNR1HASPIN
SCHEMBL11332117 0.88 CNR2 (0.54) CNR2CCNCCDK8CNR1HASPIN
SCHEMBL11335626 0.88 CNR2 (0.54) CNR2CCNCCDK8CNR1HASPIN
SCHEMBL11323736 0.83 CNR2 (0.45) CNR2CCNCCDK8CNR1HASPIN
SCHEMBL11323764 0.83 CNR2 (0.46) CNR2CCNCCDK8CNR1HASPIN
SCHEMBL11319420 0.83 CCNC (0.41) CNR2CCNCCDK8HASPINCDK19
SCHEMBL11331422 0.82 CNR2 (0.55) CNR2CCNCCDK8CNR1HASPIN

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
US-4254116-A ANALGESICS, ANTIDEPRESSANTS, NEUTRALIZING AGENTS ABBOTT LABORATORIES (US) 1981-03-03 — — US disclosed
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