SCHEMBL6831360

SCHEMBL6831360

NC(=O)N(CCc1ccccc1)C(=O)[C@H](Cc1ccc(NS(=O)(=O)O)cc1)NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 4/20 0.49
CA1 P00915 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA2 P00918 2/20 0.44
RAB9A P51151 1/20 0.44
PTPN1 P18031 2/20 0.43
CTSL P07711 3/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL6830387 0.81 RAB9A (0.53) CA1CA12CA9CA2RAB9A
SCHEMBL6796578 0.79 HPGDS (0.52) PTPRBCA1CA12CA9CA2
SCHEMBL6796575 0.79 HPGDS (0.52) PTPRBCA1CA12CA9CA2
SCHEMBL6796569 0.79 HPGDS (0.52) PTPRBCA1CA12CA9CA2
SCHEMBL6831632 0.77 PTPRB (0.47) PTPRBCTSSCTSK
SCHEMBL6803693 0.77 CTSL (0.54) PTPRBCTSLCTSSCTSK
SCHEMBL6803683 0.77 CTSL (0.54) PTPRBCTSLCTSSCTSK
SCHEMBL6803368 0.74 PTPRB (0.51) PTPRBPTPN1
SCHEMBL6831365 0.72 CTSL (0.47) PTPRBCA1CA2CTSLCTSS
SCHEMBL22372464 0.72 PTPN1 (0.51) PTPN1

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-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO claimed