SCHEMBL8102648

SCHEMBL8102648

CS[C@H]1CC(=O)N1CC(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGA5 P08648 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL8094756 1.00 HTT (0.51) HTTPOLBSMN1; SMN2LMNANPC1
SCHEMBL8094757 1.00 HTT (0.51) HTTPOLBSMN1; SMN2LMNANPC1
SCHEMBL8439425 0.86 HTT (0.50) HTTPOLBSMN1; SMN2LMNANPC1
SCHEMBL8102640 0.83 TRPV1 (0.51) POLBLMNAKDM4EGAATSHR
SCHEMBL8438861 0.82 NPC1 (0.52) POLBLMNANPC1RAB9ATSHR
SCHEMBL8104198 0.81 NPC1 (0.42) NPC1RAB9A
SCHEMBL8102667 0.80 EPHX2 (0.41) POLBSMN1; SMN2LMNAUSP2
SCHEMBL8104235 0.79 HTT (0.50) HTTPOLBSMN1; SMN2LMNANPC1
SCHEMBL8094868 0.78 HMOX1 (0.42) NPC1
SCHEMBL8108405 0.78 HTT (0.49) HTTPOLBSMN1; SMN2LMNANPC1

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-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO disclosed