SCHEMBL27770773

SCHEMBL27770773

CC(C)(C)OC(=O)NC(CC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.58
PPARG P37231 3/20 0.58
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 3/20 0.45
MGLL Q99685 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.41
ACE P12821 1/20 0.41
MMP13 P45452 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
SCHEMBL29401562 0.86 MAPT (0.52) PPARAPPARGBCL9CTNNB1MAPT
SCHEMBL28054337 0.84 PPARA (0.61) PPARAPPARGMAPTALDH1A1GAA
SCHEMBL28845985 0.84 PPARA (0.56) PPARAPPARGBCL9CTNNB1MAPT
SCHEMBL28845986 0.84 PPARA (0.56) PPARAPPARGBCL9CTNNB1MAPT
SCHEMBL28054294 0.84 PPARA (0.61) PPARAPPARGMAPTALDH1A1GAA
SCHEMBL3300943 0.84 PPARG (0.45) PPARAPPARGBCL9CTNNB1MAPT
SCHEMBL31490548 0.82 BCL9 (0.52) PPARAPPARGBCL9CTNNB1MAPT
SCHEMBL19969280 0.82 PPARG (0.48) PPARAPPARGBCL9CTNNB1MAPT
SCHEMBL27723790 0.82 PPARG (0.58) PPARAPPARGMAPTSMN1; SMN2ALDH1A1
SCHEMBL27723791 0.82 PPARG (0.58) PPARAPPARGMAPTSMN1; SMN2ALDH1A1

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
CN-101652380-A Discharge nitric oxide production steroid NICOX SA FR 2010-02-17 CN disclosed