SCHEMBL1840229

SCHEMBL1840229

O=C(NC1(C(=O)O)CCCCC1)c1ccc(CCl)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
CTSL P07711 8/20 0.49
CTSB P07858 7/20 0.49
CTSS P25774 6/20 0.49
LPAR1 Q92633 2/20 0.46
ADRB2 P07550 1/20 0.46
GPR132 Q9UNW8 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
SPHK1 Q9NYA1 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
SCHEMBL1838271 0.85 CTSL (0.48) CTSKCTSLCTSBCTSSLPAR1
SCHEMBL4966796 0.82 CTSK (0.50) CTSKCTSLCTSBCTSSLPAR1
SCHEMBL1836676 0.81 CTSK (0.61) CTSKCTSLCTSBCTSSADRB2
SCHEMBL1837320 0.80 CNR2 (0.49) CTSKCTSLCTSBCTSSLPAR1
SCHEMBL1813782 0.79 CTSL (0.64) CTSKCTSLCTSBCTSSADRB2
SCHEMBL5105059 0.78 FABP4 (0.51) CTSKCTSLCTSBCTSS
SCHEMBL1838927 0.77 GPR132 (0.50) CTSKCTSLCTSBCTSSGPR132
SCHEMBL5111869 0.77 CTSL (0.61) CTSKCTSLCTSBCTSS
SCHEMBL1841973 0.77 CNR2 (0.52) CTSKLPAR1CNR2
SCHEMBL5099689 0.76 CTSS (0.49) CTSKCTSLCTSBCTSSCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036920-B1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-18 EP disclosed
EP-2036920-A1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2009-03-18 EP disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP disclosed