SCHEMBL11816241

SCHEMBL11816241

COC(=O)C(C)c1cnc(Oc2ccccc2)cc1C(=O)C=[N+]=[N-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ MAPK8 P45983 4/20 0.35
▸ MAPK10 P53779 4/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ PLA2G10 O15496 1/20 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
SCHEMBL11817181 0.90 MAPT (0.40) ACACBACACANPC1ALDH1A1RAB9A
SCHEMBL11817548 0.84 ACACB (0.42) ACACBACACANPC1ALDH1A1RAB9A
SCHEMBL11834922 0.82 MAPK8 (0.40) ACACBACACANPC1ALDH1A1RAB9A
SCHEMBL11816255 0.77 CCNC (0.38) ACACBNPC1ALDH1A1RAB9AMAPK8
SCHEMBL11818826 0.75 ACACB (0.40) ACACBACACANPC1ALDH1A1RAB9A
SCHEMBL11817197 0.73 CYP4F2 (0.40) ALDH1A1MAPK1CYP1A2MAPTCYP2C19
SCHEMBL11807961 0.73 ACACB (0.41) ACACBACACANPC1ALDH1A1RAB9A
SCHEMBL11812772 0.73 MAPT (0.45) NPC1ALDH1A1RAB9ACTSAMAPK8
SCHEMBL11810268 0.71 CYP1A2 (0.44) ACACBACACANPC1ALDH1A1RAB9A
SCHEMBL11814009 0.69 PTGS1 (0.49) ACACBACACANPC1ALDH1A1RAB9A

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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