SCHEMBL9956802

SCHEMBL9956802

CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1oc1ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.56
CTSK P43235 6/20 0.56
ACE P12821 2/20 0.50
SCN9A Q15858 1/20 0.48
EPHX2 P34913 1/20 0.46
PTPN1 P18031 1/20 0.46
CTSL P07711 3/20 0.46
PPARA Q07869 5/20 0.46
PPARG P37231 4/20 0.46
TACR1 P25103 1/20 0.45
PPARD Q03181 2/20 0.44
CTSB P07858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX5 P09917 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
SCHEMBL16459128 0.87 CTSS (0.48) CTSSCTSKSCN9AEPHX2CTSL
SCHEMBL613640 0.83 CTSS (0.76) CTSSCTSKACESCN9APTPN1
SCHEMBL4600435 0.83 CTSS (0.76) CTSSCTSKACESCN9APTPN1
SCHEMBL4122289 0.83 CTSS (0.76) CTSSCTSKACESCN9APTPN1
SCHEMBL29401990 0.83 CTSS (0.76) CTSSCTSKACESCN9APTPN1
SCHEMBL7972346 0.81 ECE1 (0.60) CTSSCTSKACEPTPN1PPARA
SCHEMBL7962403 0.81 ECE1 (0.60) CTSSCTSKACEPTPN1PPARA
SCHEMBL13897433 0.81 PPARA (0.51) CTSSCTSKSCN9AEPHX2PTPN1
SCHEMBL17137921 0.80 CTSS (0.77) CTSSCTSKACEPTPN1CTSL
SCHEMBL17137918 0.80 CTSS (0.77) CTSSCTSKACEPTPN1CTSL

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-2655322-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS Diverchim (FR) 2013-10-30 EP disclosed
WO-2012085474-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2012-06-28 WO disclosed