SCHEMBL6660650

SCHEMBL6660650

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.64
CTSK P43235 2/20 0.64
GNPAT O15228 1/20 0.56
PAM P19021 1/20 0.53
CTSC P53634 2/20 0.51
TACR1 P25103 1/20 0.49
CTRB1 P17538 2/20 0.49
CTSL P07711 4/20 0.48
CTSB P07858 1/20 0.48

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
SCHEMBL6660641 1.00 CTSS (0.64) CTSSCTSKGNPATPAMCTSC
SCHEMBL8530975 0.89 CTSL (0.62) CTSSCTSKCTSL
SCHEMBL334301 0.88 CTRB1 (0.57) CTSSCTSKPAMCTSCTACR1
SCHEMBL2843211 0.88 CTRB1 (0.57) CTSSCTSKPAMCTSCTACR1
SCHEMBL334424 0.88 CTRB1 (0.57) CTSSCTSKPAMCTSCTACR1
SCHEMBL28473692 0.84 CTSL (0.64) CTSSCTSKTACR1CTSLCTSB
SCHEMBL7285491 0.84 CTSS (0.50) CTSSCTSKGNPATPAMTACR1
SCHEMBL7285504 0.84 CTSS (0.50) CTSSCTSKGNPATPAMTACR1
SCHEMBL23376600 0.83 CTSS (0.68) CTSSCTSKGNPATPAMTACR1
SCHEMBL13956933 0.83 CTSS (0.68) CTSSCTSKGNPATPAMTACR1

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-2004007417-A1 ENZYME INHIBITORS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2004-01-22 WO disclosed