SCHEMBL4463467

SCHEMBL4463467

COC(=O)[C@H](CCSSCC[C@H](Nc1nc2cc(F)ccc2o1)C(=O)OC)Nc1nc2cc(F)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.46
CTSS P25774 5/20 0.46
HCRTR1 O43613 1/20 0.45
ELANE P08246 7/20 0.42
HTT P42858 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
LIPG Q9Y5X9 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
KIT P10721 1/20 0.38
DDR2 Q16832 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38

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
SCHEMBL4458412 0.92 CTSL (0.44) CTSLCTSSHCRTR1ELANEHTT
SCHEMBL4458411 0.92 CTSL (0.44) CTSLCTSSHCRTR1ELANEHTT
SCHEMBL4469682 0.91 CTSL (0.43) CTSLCTSSHCRTR1ELANEHTT
SCHEMBL13606505 0.91 CTSL (0.43) CTSLCTSSHCRTR1ELANEHTT
SCHEMBL4469679 0.91 CTSL (0.43) CTSLCTSSHCRTR1ELANEHTT
SCHEMBL4461483 0.84 ELANE (0.53) CTSSELANE
SCHEMBL4456597 0.84 ELANE (0.53) CTSSELANE
SCHEMBL4558354 0.81 CTSS (0.45) CTSLCTSSHCRTR1S1PR1S1PR3
SCHEMBL4457207 0.80 ELANE (0.52) CTSSELANE
SCHEMBL4457090 0.77 CTSS (0.43) CTSLCTSSHCRTR1KITDDR2

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
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO claimed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed