SCHEMBL7302595

SCHEMBL7302595

N=C(NC(=O)OCc1ccccc1)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.52
FFAR4 Q5NUL3 3/20 0.52
HTT P42858 1/20 0.50
KEAP1 Q14145 1/20 0.50
CASP1 P29466 2/20 0.48
SRD5A2 P31213 1/20 0.47
F2 P00734 2/20 0.47
PLG P00747 2/20 0.47
PLAU P00749 2/20 0.47
PLAT P00750 2/20 0.47
KLK8 O60259 1/20 0.47
F10 P00742 1/20 0.47
KLK1 P06870 1/20 0.47
KLK2 P20151 1/20 0.47
KLK4 Q9Y5K2 1/20 0.47

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
SCHEMBL7301104 0.87 CASP1 (0.49) CASP1F2PLGPLAUPLAT
SCHEMBL2771354 0.86 ENPP2 (0.52) HTTCASP1SRD5A2F2PLG
Hydrochloric Acid SCHEMBL15251794 0.86 PLAU (0.48) F2PLGPLAUPLATKLK8
SCHEMBL5845871 0.85 NR4A1 (0.51) HTTSRD5A2PLAU
SCHEMBL10942377 0.85 LMNA (0.59) HTTPLAUKLK1
SCHEMBL14161303 0.84 MAPT (0.54) F2PLGPLAUPLAT
SCHEMBL28842161 0.84 PLAU (0.50) F2PLGPLAUPLATKLK8
SCHEMBL1457681 0.84 PLAU (0.49) F2PLGPLAUPLATKLK8
SCHEMBL7450597 0.83 CTRB1 (0.49) HTTF2PLGPLAUPLAT
Hydrochloric Acid SCHEMBL5846787 0.83 PLAU (0.48) F2PLGPLAUPLATKLK8

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
US-5574016-A Peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-12 US disclosed
EP-0513675-B1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-09-11 EP disclosed
EP-0513675-A1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed