SCHEMBL8760740

SCHEMBL8760740

N=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.56
PPARG P37231 1/20 0.56
CASP1 P29466 7/20 0.53
CTSK P43235 3/20 0.52
TACR1 P25103 2/20 0.52
CTRB1 P17538 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50

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
SCHEMBL28969071 0.87 PPARA (0.55) PPARAPPARGCASP1CTSKTACR1
SCHEMBL28969068 0.87 PPARA (0.55) PPARAPPARGCASP1CTSKTACR1
SCHEMBL554032 0.87 CASP1 (0.67) PPARAPPARGCASP1
SCHEMBL613386 0.87 CASP1 (0.67) PPARAPPARGCASP1
SCHEMBL376886 0.87 CASP1 (0.67) PPARAPPARGCASP1
SCHEMBL2912586 0.85 CASP1 (0.60) PPARAPPARGCASP1CTSKTACR1
SCHEMBL2912589 0.85 CASP1 (0.60) PPARAPPARGCASP1CTSKTACR1
SCHEMBL7583002 0.85 CASP1 (0.60) PPARAPPARGCASP1CTSKTACR1
SCHEMBL722757 0.84 MME (0.62) PPARAPPARGCASP1CTSKTACR1
SCHEMBL4404720 0.84 PPARA (0.55) PPARAPPARGCASP1CTSKTACR1

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-0716658-B1 GLYCOSYL AMIDES OF 2-AMINOACYLAMINO-2-DEOXY SUGARS BAYER AG (DE) 1997-06-04 EP disclosed
EP-0716658-A1 GLYCOSYL AMIDES OF 2-AMINOACYLAMINO-2-DEOXY SUGARS BAYER AG (DE) 1996-06-19 EP disclosed
WO-1995006654-A1 GLYCOSYL AMIDES OF 2-AMINOACYLAMINO-2-DEOXY SUGARS BAYER AKTIENGESELLSCHAFT (DE) 1995-03-09 WO disclosed