SCHEMBL7982847

SCHEMBL7982847

CC(C)(C)OC(=O)NC(C(=O)NCc1ccc(OCCCOc2ccc(CNC(=O)c3ccc(C#N)cc3)cc2)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.57
CTSK P43235 1/20 0.57
PPARA Q07869 1/20 0.52
EPHX2 P34913 2/20 0.50
HDAC1 Q13547 1/20 0.44
PRSS1 P07477 1/20 0.43
CTSG P08311 1/20 0.43
CTRB1 P17538 1/20 0.43
CMA1 P23946 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR3 Q99500 1/20 0.43
MTTP P55157 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL5041445 0.89 CTSS (0.71) CTSSCTSKCTSL
SCHEMBL5041450 0.89 CTSS (0.71) CTSSCTSKCTSL
SCHEMBL7983921 0.85 EPHX2 (0.62) PPARAEPHX2HDAC1NR1H4
SCHEMBL29527526 0.81 CTSS (0.73) CTSSCTSKPRSS1CTSL
SCHEMBL7982845 0.81 EPHX2 (0.52) PPARAEPHX2HDAC1NR1H4
SCHEMBL4200549 0.79 CTSS (0.73) CTSSCTSKPRSS1CTSL
SCHEMBL4200553 0.79 CTSS (0.73) CTSSCTSKPRSS1CTSL
SCHEMBL7984857 0.79 EPHX2 (0.65) PPARAEPHX2HDAC1NR1H4
SCHEMBL4231742 0.78 S1PR3 (0.64) EPHX2PRSS1CTSGCTRB1CMA1
SCHEMBL7982523 0.77 EPHX2 (0.65) PPARAEPHX2HDAC1NR1H4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed