SCHEMBL9255604

SCHEMBL9255604

CC(C)(C)OC(=O)N[C@H](C(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ACP3 P15309 1/20 0.43
CYP26A1 O43174 1/20 0.43
NR3C2 P08235 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL2238030 1.00 ALOX5 (0.55) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2238035 1.00 ALOX5 (0.55) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6159650 0.89 MAPT (0.51) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10093139 0.89 MAPT (0.51) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6681998 0.85 MAPT (0.54) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29586156 0.85 MAPT (0.54) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3379484 0.85 PPARG (0.54) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3379479 0.85 PPARG (0.54) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1374453 0.82 CYP26A1 (0.60) ALOX5MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16199337 0.82 CYP26A1 (0.60) ALOX5MAPTSMN1; SMN2NPC1RAB9A

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-5378838-A FOR USE IN HUMANS MERCK & CO., INC. (US) 1995-01-03 US disclosed
WO-1994015924-A1 CHOLECYSTOKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-07-21 WO disclosed