SCHEMBL7127502

SCHEMBL7127502

CC[C@H](CS)C(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.37
DPP7 Q9UHL4 1/20 0.36
CPN1 P15169 3/20 0.35
CPB2 Q96IY4 3/20 0.35
TLR2 O60603 2/20 0.34
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
DPP4 P27487 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SCN4A P35499 1/20 0.30

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
SCHEMBL11376986 1.00 PRCP (0.37) PRCPDPP7CPN1CPB2TLR2
SCHEMBL11433291 0.91 CPN1 (0.38) PRCPDPP7CPN1CPB2TLR2
SCHEMBL4667895 0.91 PRCP (0.40) PRCPDPP7TLR2CYP1A2CYP3A4
SCHEMBL11434881 0.87 CPN1 (0.35) PRCPDPP7CPN1CPB2TLR2
SCHEMBL11430661 0.86 MEN1 (0.34) PRCPDPP7CPN1CPB2TLR2
SCHEMBL11326269 0.86 CPN1 (0.35) PRCPDPP7CPN1CPB2TLR2
SCHEMBL11487748 0.84 CPN1 (0.37) PRCPDPP7CPN1CPB2CYP1A2
SCHEMBL11485912 0.84 PRCP (0.34) PRCPDPP7CPN1CPB2TLR2
SCHEMBL11486295 0.83 CPB2 (0.34) PRCPDPP7CPN1CPB2TLR2
SCHEMBL11484027 0.83 NOS2 (0.36) PRCPCPN1CPB2NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294728-A1 HMG-CoA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-26 EP disclosed
WO-2001096347-A1 HMG-CoA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed