SCHEMBL8548803

SCHEMBL8548803

CC(C)C(NC(=O)COc1cccnc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 4/20 0.55
MBTPS1 Q14703 1/20 0.54
NOTUM Q6P988 1/20 0.52
NAMPT P43490 1/20 0.50
PSMB5 P28074 1/20 0.47
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ADAMTS4 O75173 1/20 0.46
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GALR3 O60755 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8548807 1.00 GPR132 (0.55) GPR132MBTPS1NOTUMNAMPTPSMB5
SCHEMBL8548804 0.89 ALDH1A1 (0.49) GPR132MBTPS1NOTUMNAMPTPSMB5
SCHEMBL8548808 0.89 ALDH1A1 (0.49) GPR132MBTPS1NOTUMNAMPTPSMB5
SCHEMBL8549718 0.87 HSD17B10 (0.61) GPR132NOTUMNAMPTPSMB5HSD17B10
SCHEMBL8549726 0.87 HSD17B10 (0.61) GPR132NOTUMNAMPTPSMB5HSD17B10
SCHEMBL5711200 0.85 MBTPS1 (0.67) MBTPS1PSMB5HSD17B10SMN1; SMN2GAA
SCHEMBL11324889 0.85 MBTPS1 (0.67) MBTPS1PSMB5HSD17B10SMN1; SMN2GAA
SCHEMBL6443067 0.80 GPR132 (0.58) GPR132ADAMTS4CYP3A4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6445549 0.79 GPR132 (0.57) GPR132ADAMTS4CYP3A4KDM4EALDH1A1
SCHEMBL8543392 0.78 NOTUM (0.50) GPR132NOTUMNAMPTPSMB5ADAMTS5

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
EP-0574135-B1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORP (JP) 1998-11-18 EP disclosed
US-5644028-A Process for producing peptide derivatives and salts therefor JAPAN ENERGY CORPORATION (JP) 1997-07-01 US disclosed
EP-0574135-A1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORPORATION (JP) 1993-12-15 EP disclosed