SCHEMBL7815002

SCHEMBL7815002

CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.61
CTSS P25774 4/20 0.60
CTSK P43235 3/20 0.60
CTSL P07711 1/20 0.60
CTSB P07858 1/20 0.60
ACE P12821 1/20 0.58
LTA4H P09960 1/20 0.57
CCKBR P32239 1/20 0.55
BACE1 P56817 1/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
AKT1 P31749 1/20 0.53
KLK7 P49862 1/20 0.52

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
SCHEMBL11105884 0.96 ACE (0.61) RENCTSSCTSKCTSLCTSB
SCHEMBL13093343 0.91 REN (0.61) RENCTSSCTSKCTSLCTSB
SCHEMBL10622674 0.91 CTSS (0.62) RENCTSSCTSKCTSLCTSB
SCHEMBL10622656 0.91 CTSS (0.62) RENCTSSCTSKCTSLCTSB
SCHEMBL2507079 0.90 REN (0.65) RENACEBACE1
SCHEMBL2507078 0.90 REN (0.65) RENACEBACE1
SCHEMBL9831759 0.90 CTSS (0.64) RENCTSSCTSKCTSLCTSB
SCHEMBL11682562 0.89 MME (0.59) RENCTSSCTSKCTSLCTSB
SCHEMBL11443643 0.89 ITGB3 (0.52) RENCTSSCTSKCTSLCTSB
SCHEMBL11319244 0.89 REN (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed