SCHEMBL9429907

SCHEMBL9429907

CC(C)N(O)C(=O)Cc1ccc(-c2ccc(OCc3nc4ccccc4s3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
ALOX5 P09917 8/20 0.52
EPHX2 P34913 6/20 0.52
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5AP P20292 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL9429685 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9428008 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9427796 0.80 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9427636 0.80 ALOX5 (0.58) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9427782 0.79 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9428614 0.78 PDE10A (0.52) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9427951 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9428049 0.77 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTKMT2A
Propionic Acid SCHEMBL9428064 0.77 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9427717 0.77 ALOX5 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5218124-A Antiinflammatory agents, antiallergens and cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-08 US claimed
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