SCHEMBL7798566

SCHEMBL7798566

CC(C)(C)OC(=O)NCC(NC(=O)OCc1ccccc1)C(=O)NCCCC(=O)Cc1cccc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
CAPN1 P07384 1/20 0.51
CAPN2 P17655 1/20 0.51
CTSK P43235 2/20 0.46
SIRT2 Q8IXJ6 6/20 0.46
SIRT1 Q96EB6 5/20 0.46
SIRT5 Q9NXA8 4/20 0.46
SIRT3 Q9NTG7 1/20 0.45
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CA1 P00915 1/20 0.44

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
SCHEMBL7790153 0.82 CTSL (0.53) CAPN1CAPN2CTSKSIRT5CTSS
SCHEMBL9227553 0.80 SYK (0.62) SYKCTSKCTSSCTSLCTSB
SCHEMBL19934131 0.79 SYK (0.61) SYKCAPN1CAPN2CTSKCTSS
SCHEMBL25022113 0.78 SYK (0.57) SYKSIRT2SIRT1SIRT3
SCHEMBL2670566 0.78 CAPN1 (0.68) SYKCAPN1CAPN2CTSKCTSS
SCHEMBL30967604 0.77 SYK (0.58) SYKCAPN1CAPN2CTSKCTSS
SCHEMBL30460045 0.77 SYK (0.72) SYKCTSKCTSSCTSLCTSB
SCHEMBL615358 0.77 SYK (0.72) SYKCTSKCTSSCTSLCTSB
SCHEMBL3897638 0.77 SYK (0.72) SYKCTSKCTSSCTSLCTSB
SCHEMBL615359 0.77 SYK (0.72) SYKCTSKCTSSCTSLCTSB

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