SCHEMBL7799740

SCHEMBL7799740

CC(CCC(=O)NCC(=O)COCc1ccccc1)CNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
CTSS P25774 4/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.39
NPC1 O15118 1/20 0.39
KLK5 Q9Y337 2/20 0.39
KLK7 P49862 1/20 0.39
LTA4H P09960 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
ATM Q13315 1/20 0.38
CTSK P43235 3/20 0.38
ACE P12821 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
IDO1 P14902 1/20 0.38
MAPT P10636 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL7800929 0.89 LMNA (0.44) SYKCTSSNPC1CTSKCTSL
SCHEMBL7131218 0.83 PPARA (0.51) SYKCTSSPPARAPPARGNPC1
SCHEMBL7139147 0.80 CTSK (0.44) SYKCTSSSIGMAR1ATMCTSK
SCHEMBL7797009 0.76 SYK (0.45) SYKCTSSPPARACTSK
SCHEMBL7796788 0.74 HDAC3 (0.44) SYKLTA4HSIGMAR1ACEMAPT
SCHEMBL24365709 0.74 SYK (0.49) SYKCTSSPPARAPPARGSIGMAR1
SCHEMBL10238709 0.73 ATM (0.56) SYKCTSSKLK5ATMCTSK
SCHEMBL2736627 0.73 ATM (0.56) SYKCTSSKLK5ATMCTSK
SCHEMBL7135516 0.73 CTSS (0.55) SYKCTSSPPARAPPARGATM
SCHEMBL18085404 0.73 SYK (0.60) SYKKLK5KLK7IDO1MAPT

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-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed