SCHEMBL8108451

SCHEMBL8108451

C[S+]([O-])[C@@H]1CC(=O)N1CC(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.46
ITGB1 P05556 1/20 0.45
ITGA5 P08648 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8108405 1.00 HTT (0.49) HTTSMN1; SMN2POLBLMNAITGB1
SCHEMBL8094760 1.00 HTT (0.49) HTTSMN1; SMN2POLBLMNAITGB1
SCHEMBL8772459 0.87 HTT (0.48) HTTSMN1; SMN2POLBLMNAITGB1
SCHEMBL8102633 0.84 TRPV1 (0.49) POLBLMNAGAATSHRKMT2A
SCHEMBL8441221 0.82 NPC1 (0.49) POLBLMNAMEN1TSHRKMT2A
SCHEMBL8104174 0.81 EPHX2 (0.39) SMN1; SMN2POLBLMNAUSP2KMT2A
SCHEMBL8102560 0.79 HMOX1 (0.40) SMN1; SMN2POLBNPC1HPGDALDH1A1
SCHEMBL8441699 0.79 TRPV1 (0.47) POLBLMNAGAAMEN1TSHR
SCHEMBL8094808 0.78 NPC1 (0.49) HTTSMN1; SMN2POLBLMNAUSP2
SCHEMBL8094816 0.78 NPC1 (0.49) HTTSMN1; SMN2POLBLMNAUSP2

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