SCHEMBL7799736

SCHEMBL7799736

CCC(C)CN(C(=O)NCC(=O)COCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
SYK P43405 1/20 0.40
NPC1 O15118 1/20 0.39
CTSS P25774 1/20 0.38
PPARA Q07869 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CPB2 Q96IY4 1/20 0.36
PPARG P37231 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSB P07858 1/20 0.33

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
SCHEMBL7800925 0.89 NPC1 (0.41) SYKNPC1CTSSMEN1KMT2A
SCHEMBL7796787 0.80 L3MBTL1 (0.40) L3MBTL1SYKNPC1CTSSPPARA
SCHEMBL7797006 0.77 L3MBTL1 (0.45) L3MBTL1NPSR1HDAC3HDAC1HDAC2
SCHEMBL7797008 0.76 MAPT (0.39) L3MBTL1SYKHDAC3HDAC1HDAC2
SCHEMBL7131218 0.75 PPARA (0.51) L3MBTL1SYKNPC1CTSSPPARA
SCHEMBL7137802 0.74 CTSK (0.44) SYKCTSSPPARAHDAC3HDAC1
SCHEMBL7135516 0.73 CTSS (0.55) SYKCTSSPPARANPSR1PPARG
SCHEMBL7135455 0.72 CTSB (0.38) CTSSMEN1KMT2ACTSB
SCHEMBL7799740 0.71 SYK (0.47) SYKNPC1CTSSPPARAPPARG
SCHEMBL6182061 0.70 CTSS (0.54) CTSSCTSB

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