SCHEMBL4457088

SCHEMBL4457088

CC(CSSCC[C@H](Nc1nc2cc(F)ccc2o1)C(=O)O)[C@](C)(Nc1nc2cc(F)ccc2o1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.39
CTSL P07711 5/20 0.39
POLB P06746 1/20 0.34
HCRTR1 O43613 3/20 0.34
KIT P10721 1/20 0.34
DDR2 Q16832 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
FOLH1 Q04609 1/20 0.31
HCRTR2 O43614 2/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL4558354 0.79 CTSS (0.45) CTSSCTSLPOLBHCRTR1KIT
SCHEMBL4457090 0.77 CTSS (0.43) CTSSCTSLHCRTR1KITDDR2
SCHEMBL4463467 0.76 CTSL (0.46) CTSSCTSLHCRTR1KITDDR2
SCHEMBL13606505 0.72 CTSL (0.43) CTSSCTSLPOLBHCRTR1KIT
SCHEMBL4458411 0.69 CTSL (0.44) CTSSCTSLHCRTR1KITDDR2
SCHEMBL4458412 0.69 CTSL (0.44) CTSSCTSLHCRTR1KITDDR2
SCHEMBL4469679 0.69 CTSL (0.43) CTSSCTSLHCRTR1KITDDR2
SCHEMBL4469682 0.69 CTSL (0.43) CTSSCTSLHCRTR1KITDDR2
SCHEMBL4457207 0.67 ELANE (0.52) CTSSMEN1ALDH1A1KMT2A
SCHEMBL4453282 0.64 NPC1 (0.43) CTSSMEN1ALDH1A1KMT2A

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 1 patent. 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 disclosed