SCHEMBL9543342

SCHEMBL9543342

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.63
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CCKBR P32239 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CCKAR P32238 1/20 0.49

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
SCHEMBL9543335 0.93 CTSL (0.63) CTSLCTSSCTSKMAPTTP53
SCHEMBL9543677 0.90 CTSL (0.63) CTSLCTSSCTSKMAPTTP53
SCHEMBL9543961 0.90 CTSL (0.62) CTSLCTSSCTSKCCKBR
SCHEMBL9544088 0.89 CTSL (0.64) CTSLCTSSCTSKMAPTTP53
SCHEMBL9542635 0.89 CTSL (0.64) CTSLCTSSCTSKCCKBR
SCHEMBL30643020 0.83 CTSL (0.67) CTSLCTSSCTSKMAPTTP53
SCHEMBL31360963 0.83 CTSL (0.63) CTSLCTSSCTSKMAPTTP53
SCHEMBL27885284 0.82 ACE (0.66) CTSLCTSSCTSKMAPTTP53
SCHEMBL645235 0.82 ACE (0.66) CTSLCTSSCTSKMAPTTP53
SCHEMBL27885283 0.82 ACE (0.66) CTSLCTSSCTSKMAPTTP53

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