SCHEMBL8324174

SCHEMBL8324174

CCC(C)S(=O)(=O)N[C@@H](Cc1ccc2c(c1)NC(=O)C(CCC(=O)Nc1nc3ccccc3[nH]1)O2)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.44
ITGAV P06756 7/20 0.44
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP9 P14780 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL7168844 0.87 ITGAV (0.45) ITGB3ITGAVNPC1RAB9ASMN1; SMN2
SCHEMBL8321280 0.86 ITGB3 (0.37) ITGB3ITGAVSMN1; SMN2HTTMAPT
SCHEMBL7161074 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL7160899 0.84 PTPN1 (0.49) ITGB3ITGAVNPC1RAB9ASMN1; SMN2
SCHEMBL7479810 0.82 MAPT (0.44) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL7469216 0.82 ITGB3 (0.39) ITGB3ITGAVNPC1RAB9ASMN1; SMN2
SCHEMBL7161068 0.81 ITGB3 (0.54) ITGB3ITGAVNPC1RAB9ASMN1; SMN2
SCHEMBL7163734 0.81 ITGB3 (0.43) ITGB3ITGAVNPC1RAB9ASMN1; SMN2
SCHEMBL7370460 0.81 ITGB3 (0.43) ITGB3ITGAVNPC1RAB9ASMN1; SMN2
SCHEMBL7163873 0.81 ITGB3 (0.47) ITGB3ITGAVNPC1RAB9ASMN1; SMN2

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
WO-2004087057-A2 METHODS FOR INHIBITION OF ANGIOGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-10-14 WO disclosed