SCHEMBL8104176

SCHEMBL8104176

CC1C(=O)N(CC(=O)NCc2ccccc2)C1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8104178 1.00 HTT (0.50) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8104181 1.00 HTT (0.50) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8104223 0.84 TRPV1 (0.50) POLBLMNAKMT2AGAATSHR
SCHEMBL8102553 0.79 NPC1 (0.54) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8102549 0.79 NPC1 (0.54) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8102557 0.79 NPC1 (0.54) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8104215 0.78 SMN1; SMN2 (0.48) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8104235 0.78 HTT (0.50) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8094808 0.77 NPC1 (0.49) HTTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8094816 0.77 NPC1 (0.49) HTTNPC1RAB9ASMN1; 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 6 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 claimed
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