SCHEMBL8939521

SCHEMBL8939521

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

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.67
CTSS P25774 3/20 0.60
CTSK P43235 2/20 0.60
CTSL P07711 1/20 0.60
CTSB P07858 1/20 0.60
CCKBR P32239 6/20 0.59
ACE P12821 1/20 0.55
AKT1 P31749 1/20 0.53

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
SCHEMBL7208458 1.00 REN (0.67) RENCTSSCTSKCTSLCTSB
SCHEMBL11050511 0.93 REN (0.75) RENCTSSCTSKCTSLCTSB
SCHEMBL22962389 0.93 REN (0.75) RENCTSSCTSKCTSLCTSB
SCHEMBL27555716 0.93 REN (0.75) RENCTSSCTSKCTSLCTSB
SCHEMBL7860355 0.91 ACE (0.66) RENCTSSCTSKCTSLCTSB
SCHEMBL2173588 0.90 REN (0.67) RENCTSSCTSKCTSLCTSB
SCHEMBL4420859 0.90 REN (0.67) RENCTSSCTSKCTSLCTSB
SCHEMBL7618822 0.90 REN (0.67) RENCTSSCTSKCTSLCTSB
SCHEMBL29484078 0.89 REN (0.68) RENCTSSCTSKCTSLCTSB
SCHEMBL7859364 0.88 KLK5 (0.65) RENCTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563132-B1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES BLACK JAMES FOUNDATION (GB) 1996-02-07 EP disclosed
US-5486597-A GASTRIN ANTAGONIST AS ANTISECRETORY AGENTS OF GASTRIC JUICE FOR STOMACH CANCER JAMES BLACK FOUNDATION LIMITED (GB) 1996-01-23 US disclosed
EP-0563132-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES. BLACK JAMES FOUNDATION (GB) 1993-10-06 EP disclosed
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 WO disclosed