SCHEMBL8102549

SCHEMBL8102549

CSC1C(C)C(=O)N1CC(=O)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 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
SCHEMBL8102553 1.00 NPC1 (0.54) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8102557 1.00 NPC1 (0.54) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8104079 0.84 TRPV1 (0.52) POLBLMNAKDM4EGAAMEN1
SCHEMBL8104082 0.84 TRPV1 (0.52) POLBLMNAKDM4EGAAMEN1
SCHEMBL8104181 0.79 HTT (0.50) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8104176 0.79 HTT (0.50) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8104178 0.79 HTT (0.50) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8094805 0.78 NPC1 (0.49) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8094808 0.78 NPC1 (0.49) NPC1RAB9AHTTSMN1; SMN2POLB
SCHEMBL8094816 0.78 NPC1 (0.49) NPC1RAB9AHTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO claimed
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