SCHEMBL27463259

SCHEMBL27463259

CC(C)(C)OC(=O)NC(Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.59
CTSK P43235 5/20 0.59
BCL2 P10415 1/20 0.55
CTSB P07858 2/20 0.54
CTSL P07711 1/20 0.54
PPARA Q07869 1/20 0.53
P2RX7 Q99572 1/20 0.52
ACE P12821 1/20 0.52
GPR34 Q9UPC5 1/20 0.51
KLK5 Q9Y337 1/20 0.51
PTPN1 P18031 1/20 0.51
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL8027435 1.00 CTSS (0.59) CTSSCTSKBCL2CTSBCTSL
SCHEMBL16908256 0.97 CTSS (0.62) CTSSCTSKCTSBCTSLPPARA
SCHEMBL18813663 0.97 CTSS (0.62) CTSSCTSKCTSBCTSLPPARA
SCHEMBL7409389 0.94 CTSS (0.65) CTSSCTSKBCL2CTSBCTSL
SCHEMBL7409385 0.94 CTSS (0.65) CTSSCTSKBCL2CTSBCTSL
SCHEMBL3826349 0.90 CTSS (0.66) CTSSCTSKBCL2CTSBCTSL
SCHEMBL85543 0.90 CTSS (0.64) CTSSCTSKCTSBCTSLPPARA
SCHEMBL3355326 0.90 CTSS (0.64) CTSSCTSKCTSBCTSLPPARA
SCHEMBL22404737 0.90 CTSS (0.64) CTSSCTSKCTSBCTSLPPARA
SCHEMBL7235877 0.88 CTSS (0.63) CTSSCTSKCTSBCTSLPPARA

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
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 CN disclosed