SCHEMBL6831365

SCHEMBL6831365

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.47
CTSS P25774 4/20 0.47
CTSK P43235 4/20 0.47
GRIA1 P42261 1/20 0.46
USP30 Q70CQ3 1/20 0.43
CTSB P07858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BACE1 P56817 1/20 0.43
KMT2A Q03164 1/20 0.42
PTPRB P23467 4/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CTSV O60911 1/20 0.42
PSMB5 P28074 1/20 0.41

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
SCHEMBL6796578 0.83 HPGDS (0.52) CTSLCTSSCTSKPTPRBCA2
SCHEMBL6796569 0.83 HPGDS (0.52) CTSLCTSSCTSKPTPRBCA2
SCHEMBL6796575 0.83 HPGDS (0.52) CTSLCTSSCTSKPTPRBCA2
SCHEMBL6803683 0.81 CTSL (0.54) CTSLCTSSCTSKUSP30PTPRB
SCHEMBL6803693 0.81 CTSL (0.54) CTSLCTSSCTSKUSP30PTPRB
SCHEMBL6831360 0.72 PTPRB (0.49) CTSLCTSSCTSKPTPRBCA2
SCHEMBL23716342 0.72 NPC1 (0.63) KMT2A
SCHEMBL6797654 0.69 USP30 (0.55) CTSLCTSSGRIA1USP30CTSB
SCHEMBL6797631 0.69 USP30 (0.55) CTSLCTSSGRIA1USP30CTSB
SCHEMBL4072164 0.69 CTSL (0.74) CTSLCTSSCTSKCTSBL3MBTL1

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