SCHEMBL11834926

SCHEMBL11834926

COC(=O)CCc1cnc(Oc2ccccc2)cc1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ MAPK8 P45983 4/20 0.39
▸ MAPK10 P53779 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ RPS6KB2 Q9UBS0 1/20 0.37
▸ PLA2G10 O15496 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11817553 0.91 CCNC (0.43) CCNCCDK8CYP11B1CYP11B2MAPK8
SCHEMBL11810282 0.89 CYP4F2 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL11807967 0.84 CCNC (0.44) CCNCCDK8CYP11B1CYP11B2ALDH1A1
SCHEMBL11816255 0.83 CCNC (0.38) CCNCCDK8CYP11B1CYP11B2MAPK8
SCHEMBL11818833 0.81 CCNC (0.42) CCNCCDK8CYP11B1CYP11B2ALDH1A1
SCHEMBL11818838 0.81 CCNC (0.42) CCNCCDK8CYP11B1CYP11B2ALDH1A1
SCHEMBL11812777 0.79 CYP4F2 (0.47) ALDH1A1MEN1CASP3KMT2A
SCHEMBL2312774 0.74 FFAR1 (0.46) CCNCCDK8CYP11B1CYP11B2ALDH1A1
SCHEMBL11834922 0.74 MAPK8 (0.40) MAPK8MAPK10ALDH1A1NPC1RAB9A
SCHEMBL11812368 0.73 CYP4F2 (0.48) ALDH1A1TDP1

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-3994908-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIRHEUMATIC SHIONOGI & CO., LTD. (JA) 1976-11-30 — — US disclosed
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