SCHEMBL8939532

SCHEMBL8939532

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.68
CTSS P25774 2/20 0.64
CTSK P43235 2/20 0.64
CTSL P07711 2/20 0.64
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.61
SCN9A Q15858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
CTSB P07858 1/20 0.59
TACR1 P25103 2/20 0.59
CCKBR P32239 5/20 0.57
ECE1 P42892 1/20 0.57
REN P00797 1/20 0.55
KLK5 Q9Y337 1/20 0.54

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
SCHEMBL3825352 0.90 ACE (0.78) ACECTSSCTSKCTSLMAPT
SCHEMBL30638855 0.90 ACE (0.78) ACECTSSCTSKCTSLMAPT
SCHEMBL31484559 0.90 ACE (0.78) ACECTSSCTSKCTSLMAPT
SCHEMBL27885190 0.90 ACE (0.78) ACECTSSCTSKCTSLMAPT
SCHEMBL27885189 0.90 ACE (0.78) ACECTSSCTSKCTSLMAPT
SCHEMBL27871524 0.90 CTSL (0.76) ACECTSSCTSKCTSLMAPT
SCHEMBL27902245 0.90 CTSL (0.76) ACECTSSCTSKCTSLMAPT
SCHEMBL8939471 0.90 CCKBR (0.61) ACECCKBR
SCHEMBL9452664 0.89 CTSS (0.57) ACECTSSCTSKCTSLMAPT
SCHEMBL30643016 0.89 ACE (0.71) ACECTSSCTSKCTSLMAPT

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