SCHEMBL9543335

SCHEMBL9543335

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.63
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
CCKBR P32239 3/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL9543342 0.93 CTSL (0.63) CTSLCTSSCTSKCCKBRTP53
SCHEMBL9543961 0.92 CTSL (0.62) CTSLCTSSCTSKCCKBR
SCHEMBL9543677 0.91 CTSL (0.63) CTSLCTSSCTSKCCKBRTP53
SCHEMBL9542635 0.91 CTSL (0.64) CTSLCTSSCTSKCCKBR
SCHEMBL9544088 0.89 CTSL (0.64) CTSLCTSSCTSKCCKBRTP53
SCHEMBL30608293 0.84 CTSL (0.69) CTSLCTSSCTSKCCKBRTP53
SCHEMBL6425618 0.83 CTSL (0.68) CTSLCTSSCTSKCCKBRTP53
SCHEMBL6426476 0.83 CTSL (0.68) CTSLCTSSCTSKCCKBRTP53
SCHEMBL6424722 0.83 CTSL (0.68) CTSLCTSSCTSKCCKBRTP53
SCHEMBL6429159 0.83 CTSL (0.68) CTSLCTSSCTSKCCKBRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed