SCHEMBL8716172

SCHEMBL8716172

NCCCCC(NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.52
CASR P41180 1/20 0.51
FNTA P49354 3/20 0.48
FNTB P49356 3/20 0.48
TGM2 P21980 2/20 0.48
FOLH1 Q04609 2/20 0.47
MMP3 P08254 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MCHR1 Q99705 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
CAPN1 P07384 1/20 0.46
CTSB P07858 1/20 0.46
PLK1 P53350 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ERAP2 Q6P179 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
BACE1 P56817 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
SCHEMBL8716175 1.00 PYGL (0.52) PYGLCASRFNTAFNTBTGM2
SCHEMBL9716686 0.96 FNTA (0.49) PYGLCASRFNTAFNTBTGM2
SCHEMBL9716690 0.96 FNTA (0.49) PYGLCASRFNTAFNTBTGM2
SCHEMBL27298381 0.90 HPGDS (0.53) PYGLCASRTGM2MMP3HDAC8
SCHEMBL10374890 0.87 PYGL (0.52) PYGLCASRFNTAFNTBTGM2
SCHEMBL9829405 0.86 FOLH1 (0.54) FNTAFNTBTGM2FOLH1MMP3
SCHEMBL9829821 0.86 PPARG (0.53) PYGLFNTAFNTBTGM2FOLH1
SCHEMBL29607903 0.83 LNPEP (0.52) PYGLFOLH1MMP2MMP9CTSB
SCHEMBL29022047 0.83 ALOX5 (0.50) PYGLFOLH1MMP2MMP9ALDH1A1
SCHEMBL9828783 0.83 FOLH1 (0.55) PYGLFOLH1MMP3HDAC8PLK1

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-0822939-A1 CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
WO-1996034012-A1 CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed