SCHEMBL9716690

SCHEMBL9716690

NCCC[C@@H](NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.49
FNTB P49356 4/20 0.49
PYGL P06737 1/20 0.48
MMP3 P08254 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CASR P41180 1/20 0.47
MCHR1 Q99705 1/20 0.47
PLK1 P53350 1/20 0.47
CTSB P07858 2/20 0.46
CAPN1 P07384 1/20 0.46
TGM2 P21980 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FOLH1 Q04609 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
ELANE P08246 2/20 0.44
NR4A1 P22736 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
SCHEMBL9716686 1.00 FNTA (0.49) FNTAFNTBPYGLMMP3HDAC8
SCHEMBL8716172 0.96 PYGL (0.52) FNTAFNTBPYGLMMP3HDAC8
SCHEMBL8716175 0.96 PYGL (0.52) FNTAFNTBPYGLMMP3HDAC8
SCHEMBL9829821 0.87 PPARG (0.53) FNTAFNTBPYGLMMP3HDAC8
SCHEMBL27298381 0.86 HPGDS (0.53) PYGLMMP3HDAC8CASRMCHR1
SCHEMBL9829405 0.85 FOLH1 (0.54) FNTAFNTBMMP3HDAC8MCHR1
SCHEMBL10374890 0.84 PYGL (0.52) FNTAFNTBPYGLCASRCTSB
SCHEMBL9828783 0.84 FOLH1 (0.55) PYGLMMP3HDAC8PLK1ALDH1A1
SCHEMBL9828789 0.84 FOLH1 (0.55) PYGLMMP3HDAC8PLK1ALDH1A1
SCHEMBL9828925 0.83 MMP3 (0.53) MMP3HDAC8PLK1CTSBCAPN1

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-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed