SCHEMBL4657183

SCHEMBL4657183

CC(C)C(NCC(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CNC(=O)OCc1ccccc1)Cc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.47
CTSK P43235 3/20 0.47
SYK P43405 1/20 0.47
CTSD P07339 3/20 0.44
CTRB1 P17538 2/20 0.44
PSMB1 P20618 7/20 0.43
PSMB5 P28074 7/20 0.43
PSMB2 P49721 7/20 0.43
PSMB11 A5LHX3 6/20 0.43
PSMA7 O14818 6/20 0.43
PSMA1 P25786 6/20 0.43
PSMA2 P25787 6/20 0.43
PSMA3 P25788 6/20 0.43
PSMA4 P25789 6/20 0.43
PSMB8 P28062 6/20 0.43
PSMB9 P28065 6/20 0.43
PSMA5 P28066 6/20 0.43
PSMB4 P28070 6/20 0.43
PSMB6 P28072 6/20 0.43
PSMB10 P40306 6/20 0.43

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
SCHEMBL4656413 0.89 SYK (0.51) CTSLCTSKSYKCTSDCA2
SCHEMBL4657191 0.88 APP (0.40) CTSLCTSKSYKPSMB1PSMB5
SCHEMBL4657113 0.85 SYK (0.60) CTSLCTSKSYKCTRB1
SCHEMBL3987635 0.80 CA2 (0.38) CTSLCTSKCTSDPSMB1PSMB5
SCHEMBL7788731 0.80 CA4 (0.41) CTSLCTSKCTSDPSMB1PSMB5
SCHEMBL13979534 0.79 OPRK1 (0.42)
SCHEMBL3989377 0.78 CA2 (0.39) CTSDPSMB1PSMB5PSMB2PSMB11
SCHEMBL4656418 0.78 APP (0.43) CTSKSYKCA2
SCHEMBL3989460 0.75 CTSL (0.45) CTSLCTSKSYKCTRB1
SCHEMBL3989464 0.75 CTSL (0.45) CTSLCTSKSYKCTRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP disclosed
US-6255285-B1 GASTROINTESTINAL DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-03 US disclosed
EP-1006122-A1 PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-06-07 EP disclosed