SCHEMBL8939488

SCHEMBL8939488

CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.59
▸ CTSB P07858 4/20 0.59
▸ CTSK P43235 4/20 0.59
▸ PTPN1 P18031 2/20 0.49
▸ TACR1 P25103 2/20 0.48
▸ CTSL P07711 2/20 0.45
▸ ACE P12821 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ PPIA P62937 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL3171386 0.87 CTSS (0.56) CTSSCTSBCTSKCTSLACE
SCHEMBL1032021 0.87 CTSS (0.56) CTSSCTSBCTSKCTSLACE
SCHEMBL7060490 0.87 CTSS (0.56) CTSSCTSBCTSKCTSLACE
SCHEMBL29850361 0.87 TACR1 (0.61) CTSSCTSBCTSKTACR1CTSL
SCHEMBL8939478 0.86 TACR1 (0.56) CTSSCTSBCTSKTACR1CTSL
SCHEMBL23085808 0.86 LCK (0.46) CTSSCTSBCTSKTACR1CTSL
SCHEMBL23085810 0.86 LCK (0.46) CTSSCTSBCTSKTACR1CTSL
SCHEMBL30423083 0.85 ABCB1 (0.49) CTSSCTSBCTSKPTPN1CTSL
SCHEMBL3750286 0.84 CTSS (0.55) CTSSCTSBCTSKCTSLACE
SCHEMBL10723853 0.84 CTSS (0.55) CTSSCTSBCTSKCTSLACE

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 3 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
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 — — WO disclosed
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