SCHEMBL1287150

SCHEMBL1287150

CC(C)(C)OC(=O)NC[C@H](C(N)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL20474086 1.00 NPC1 (0.46) NPC1PPARGPPARAALDH1A1KDM4E
SCHEMBL6830385 0.92 MMP2 (0.45) NPC1PPARGPPARAADRB2ADRB1
SCHEMBL6830781 0.92 MEN1 (0.48) NPC1PPARGPPARAALDH1A1MAPT
SCHEMBL6675373 0.88 NPC1 (0.46) NPC1PPARGPPARAALDH1A1KDM4E
SCHEMBL6831591 0.87 NPC1 (0.45) NPC1PPARGPPARAALDH1A1KDM4E
SCHEMBL7367395 0.86 NPC1 (0.47) NPC1PPARGPPARAALDH1A1KDM4E
SCHEMBL6830538 0.86 NPC1 (0.44) NPC1PPARGPPARAALDH1A1KDM4E
SCHEMBL23728139 0.85 NPC1 (0.48) NPC1PPARGPPARAALDH1A1KDM4E
SCHEMBL31234426 0.84 NPC1 (0.67) NPC1PPARGPPARAALDH1A1KDM4E
SCHEMBL27668003 0.84 NPC1 (0.67) NPC1PPARGPPARAALDH1A1KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2967066-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics Inc. (US) 2016-01-20 EP disclosed
WO-2014145068-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-18 WO disclosed
EP-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed
EP-2041102-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter & Gamble Company (US) 2009-04-01 EP disclosed
EP-2038265-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter and Gamble Company (US) 2009-03-25 EP disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed