SCHEMBL9428147

SCHEMBL9428147

CC(=O)OON(C(C)=O)C(C)c1ccc(-c2ccc(OCc3nc4ccccc4s3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX5 P09917 9/20 0.48
EPHX2 P34913 7/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX5AP P20292 1/20 0.44
HTT P42858 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL9428008 0.85 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9427636 0.81 ALOX5 (0.58) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9428888 0.80 PDE10A (0.45) MAPTALOX5ALOX5APPDE10A
SCHEMBL9427951 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9428049 0.79 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9427782 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9472825 0.77 PPARA (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
Propionic Acid SCHEMBL9428064 0.74 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7544483 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9429907 0.73 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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-5364944-A Antiinflammatory, antiallergic and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-15 US disclosed
US-5218124-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-08 US disclosed