SCHEMBL1705339

SCHEMBL1705339

NCCC[C@H](NNN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
CPB2 Q96IY4 5/20 0.44
GSR P00390 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
GNPAT O15228 2/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
GGT1 P19440 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
GABRR1 P24046 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GABRR3 A8MPY1 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
HDAC3 O15379 1/20 0.34
GABBR2 O75899 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL1705338 1.00 FOLH1 (0.47) FOLH1CPB2GSRRNPEPGNPAT
SCHEMBL29396372 0.89 FOLH1 (0.52) FOLH1CPB2GSRRNPEPGNPAT
SCHEMBL29669470 0.85 FOLH1 (0.58) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL6373385 0.83 FOLH1 (0.47) FOLH1CPB2GSRRNPEPGNPAT
Alpha-Hydrazine Ornithine SCHEMBL8032273 0.83 GNPAT (0.55) FOLH1CPB2GSRRNPEPGNPAT
Alpha-Hydrazine Ornithine SCHEMBL5479325 0.83 GNPAT (0.55) FOLH1CPB2GSRRNPEPGNPAT
SCHEMBL29894486 0.83 FOLH1 (0.59) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL29390540 0.83 FOLH1 (0.59) FOLH1CPB2GSRRNPEPMMP2
SCHEMBL29585858 0.80 FOLH1 (0.49) FOLH1CPB2GSRRNPEPGNPAT
SCHEMBL27583930 0.80 FOLH1 (0.49) FOLH1CPB2GSRRNPEPGNPAT

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-2440195-B1 USE OF ALKYLGLYCEROLS FOR PREPARING DRUGS UNIV RENNES (FR) 2019-11-06 EP disclosed
EP-2440195-A1 USE OF ALKYLGLYCEROLS FOR PREPARING DRUGS Universite De Rennes I (FR) 2012-04-18 EP disclosed
WO-2010142925-A1 USE OF ALKYLGLYCEROLS FOR PREPARING DRUGS UNIVERSITE DE RENNES 1 (FR) 2010-12-16 WO disclosed