SCHEMBL8533641

SCHEMBL8533641

O=C(O)C1CC(=O)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTR2C P28335 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL8535984 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL6440411 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL8560198 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL8566008 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL7424161 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL13208710 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL22174730 0.80 HTR2C (0.49) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL28743011 0.79 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL29235094 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL13208713 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed