SCHEMBL4457090

SCHEMBL4457090

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.43
CTSL P07711 5/20 0.43
HCRTR1 O43613 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
KIT P10721 1/20 0.35
DDR2 Q16832 1/20 0.35
FBP1 P09467 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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 0.84 CTSS (0.45) CTSSCTSLHCRTR1PTGDR2DAGLA
SCHEMBL4463467 0.77 CTSL (0.46) CTSSCTSLHCRTR1DAGLAKIT
SCHEMBL4457088 0.77 CTSS (0.39) CTSSCTSLHCRTR1PTGDR2DAGLA
SCHEMBL13606505 0.75 CTSL (0.43) CTSSCTSLHCRTR1PTGDR2KIT
SCHEMBL4458412 0.74 CTSL (0.44) CTSSCTSLHCRTR1PTGDR2DAGLA
SCHEMBL4458411 0.74 CTSL (0.44) CTSSCTSLHCRTR1PTGDR2DAGLA
SCHEMBL4469679 0.73 CTSL (0.43) CTSSCTSLHCRTR1PTGDR2DAGLA
SCHEMBL4469682 0.73 CTSL (0.43) CTSSCTSLHCRTR1PTGDR2DAGLA
SCHEMBL4453282 0.68 NPC1 (0.43) CTSSMEN1MAPTKMT2AALDH1A1
SCHEMBL4457207 0.67 ELANE (0.52) CTSSMEN1KMT2AALDH1A1NPSR1

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