SCHEMBL7800929

SCHEMBL7800929

CC(CCC(=O)NCC(=O)COCc1ccccc1)CNC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
CAPN1 P07384 1/20 0.42
CAPN2 P17655 1/20 0.42
NPC1 O15118 1/20 0.41
CTSK P43235 3/20 0.40
CTSS P25774 2/20 0.40
SYK P43405 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL7799740 0.89 SYK (0.47) NPC1CTSKCTSSSYKCTSL
SCHEMBL6940690 0.81 HTT (0.59) LMNASMN1; SMN2HTTCTSKCTSS
SCHEMBL6404796 0.81 HTT (0.59) LMNASMN1; SMN2HTTCTSKCTSS
SCHEMBL6182065 0.81 CTSS (0.58) HTTCAPN1CAPN2CTSKCTSS
SCHEMBL7136768 0.81 CAPN1 (0.41) LMNASMN1; SMN2HTTCAPN1CAPN2
SCHEMBL6946489 0.79 HTT (0.50) LMNASMN1; SMN2HTTCTSKCTSS
SCHEMBL6943807 0.79 HTT (0.50) LMNASMN1; SMN2HTTCTSKCTSS
SCHEMBL18086889 0.77 CTSK (0.55) LMNASMN1; SMN2HTTCTSKCTSS
SCHEMBL2723527 0.77 LMNA (0.52) LMNASMN1; SMN2HTTNPC1CTSK
SCHEMBL7133778 0.77 CTSL (0.43) HTTCAPN1CAPN2CTSLCTSB

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