SCHEMBL11323731

SCHEMBL11323731

CC(=O)Oc1cc(C(C)CC2CC2)cc2c1-c1cnccc1C(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ CCNC P24863 14/20 0.37
▸ CDK8 P49336 14/20 0.37
▸ HASPIN Q8TF76 13/20 0.37
▸ ROCK2 O75116 3/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ CDK19 Q9BWU1 6/20 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
SCHEMBL11319420 0.86 CCNC (0.41) CNR2CCNCCDK8HASPINROCK2
SCHEMBL11319343 0.85 CNR2 (0.45) CNR2CCNCCDK8HASPINROCK2
SCHEMBL11331211 0.84 CCNC (0.38) CNR2CCNCCDK8HASPINROCK2
SCHEMBL11340122 0.84 CNR2 (0.47) CNR2CCNCCDK8HASPINROCK2
SCHEMBL11332113 0.84 CNR2 (0.47) CNR2CCNCCDK8HASPINROCK2
Hydrochloric Acid SCHEMBL11321865 0.83 CNR2 (0.33) CNR2CCNCCDK8HASPINCDK19
SCHEMBL11323736 0.81 CNR2 (0.45) CNR2CCNCCDK8HASPINCDK19
SCHEMBL11323763 0.79 CNR2 (0.45) CNR2CCNCCDK8HASPINROCK2
SCHEMBL11323616 0.78 CNR2 (0.44) CNR2CCNCCDK8HASPINCDK19
SCHEMBL11321754 0.74 CNR2 (0.54) CNR2CCNCCDK8HASPINCDK19

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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