SCHEMBL11807967

SCHEMBL11807967

COC(=O)CCc1cnc(Oc2ccccc2)cc1CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ PLA2G10 O15496 2/20 0.41
▸ ACACB O00763 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RPS6KB2 Q9UBS0 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38

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 0.86 CCNC (0.43) CCNCCDK8PLA2G10ACACBCYP11B1
SCHEMBL11812368 0.85 CYP4F2 (0.48) ALDH1A1KDM4E
SCHEMBL11818833 0.84 CCNC (0.42) CCNCCDK8ACACBCYP11B1CYP11B2
SCHEMBL11834926 0.84 CCNC (0.42) CCNCCDK8PLA2G10ACACBCYP11B1
SCHEMBL11818838 0.84 CCNC (0.42) CCNCCDK8PLA2G10ACACBCYP11B1
SCHEMBL11808581 0.82 FFAR1 (0.50) CCNCCDK8PLA2G10FFAR1
SCHEMBL11807961 0.80 ACACB (0.41) PLA2G10ACACBMEN1CASP3KMT2A
SCHEMBL11816255 0.79 CCNC (0.38) CCNCCDK8PLA2G10ACACBCYP11B1
SCHEMBL11812777 0.75 CYP4F2 (0.47) MEN1CASP3KMT2AALDH1A1KDM4E
SCHEMBL11810282 0.73 CYP4F2 (0.45) MEN1KMT2AALDH1A1

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 2 patents. 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
US-3940403-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTIPYRETIC SHIONOGI & CO., LTD. (JA) 1976-02-24 — — US disclosed
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