SCHEMBL9752287

SCHEMBL9752287

O=C(O)CCC(=O)N[C@@H](CCS)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.62
FOLH1 Q04609 9/20 0.53
NAALAD2 Q9Y3Q0 2/20 0.52
RIMKLA Q8IXN7 1/20 0.52
NOD1 Q9Y239 1/20 0.44
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
PTGS1 P23219 1/20 0.42
GSTK1 Q9Y2Q3 1/20 0.42
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL9752285 1.00 GNPAT (0.62) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL9752284 1.00 GNPAT (0.62) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL28735998 0.89 GNPAT (0.54) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL29767070 0.89 GNPAT (0.54) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL928640 0.88 GNPAT (0.47) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL1533825 0.86 FOLH1 (0.69) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL6270974 0.86 FOLH1 (0.69) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL4156556 0.85 FOLH1 (0.62) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL930050 0.85 NOD1 (0.51) GNPATFOLH1NAALAD2RIMKLANOD1
SCHEMBL4156554 0.85 FOLH1 (0.62) GNPATFOLH1NAALAD2RIMKLANOD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991010421-A1 USE OF N-ACYL DERIVATIVES OF HOMOCYSTEINE TO MODIFY THE STRUCTURE OF KERATIN AND COSMETIC COMPOSITIONS CONTAINING THESE DERIVATIVES RECKITT & COLMAN (FR) 1991-07-25 WO disclosed