SCHEMBL11260747

SCHEMBL11260747

CC(C)(C)OC(=O)NC(C(=O)O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.43
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALOX5 P09917 1/20 0.38
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
GRM8 O00222 4/20 0.36
GRM4 Q14833 4/20 0.36
BCL2 P10415 2/20 0.36
MCL1 Q07820 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL11262003 0.86 GRM4 (0.41) GPR35CTSSCTSKPPARGPPARA
SCHEMBL23413926 0.82 GRM8 (0.46) GRM8GRM4NPC1MAPTRAB9A
SCHEMBL23413613 0.82 CTSS (0.39) CTSSCTSKPPARGPPARAALOX5
SCHEMBL3379479 0.79 PPARG (0.54) CTSSCTSKPPARGPPARAALOX5
SCHEMBL3379484 0.79 PPARG (0.54) CTSSCTSKPPARGPPARAALOX5
SCHEMBL9255604 0.78 ALOX5 (0.55) CTSSCTSKPPARGPPARAALOX5
SCHEMBL2238030 0.78 ALOX5 (0.55) CTSSCTSKPPARGPPARAALOX5
SCHEMBL2238035 0.78 ALOX5 (0.55) CTSSCTSKPPARGPPARAALOX5
SCHEMBL27159466 0.76 CTSS (0.46) CTSSCTSKPPARGPPARA
SCHEMBL27159468 0.76 CTSS (0.46) CTSSCTSKPPARGPPARA

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
EP-0046734-A2 Aminohydroxyphenyl derivatives of cephalosporins, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1982-03-03 EP disclosed