SCHEMBL9787712

SCHEMBL9787712

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

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.76
CTSL P07711 1/20 0.65
CTSS P25774 1/20 0.65
CTSK P43235 1/20 0.65
REN P00797 2/20 0.64
TP53 P04637 1/20 0.62
MAPT P10636 1/20 0.62
MMP2 P08253 2/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP1 P03956 1/20 0.61
ECE1 P42892 1/20 0.59

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
SCHEMBL30638854 0.95 CTSL (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL27902206 0.94 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787805 0.94 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL27902208 0.94 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL30597905 0.94 CCKBR (0.71) CCKBRCTSLCTSSCTSKREN
SCHEMBL9787681 0.93 CCKBR (0.74) CCKBRCTSLCTSSCTSKREN
SCHEMBL30762270 0.91 CCKBR (0.70) CCKBRCTSLCTSSCTSKREN
SCHEMBL31171643 0.90 CCKBR (0.64) CCKBRCTSLCTSSCTSKREN
SCHEMBL641549 0.89 CCKBR (0.70) CCKBRCTSLCTSSCTSKREN
SCHEMBL27902245 0.89 CTSL (0.76) CCKBRCTSLCTSSCTSKREN

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
US-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed