SCHEMBL4726036

SCHEMBL4726036

NC(=O)CC[C@H](NC(=O)C(N)CCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.55
NAALAD2 Q9Y3Q0 3/20 0.55
RIMKLA Q8IXN7 1/20 0.55
KMT2A Q03164 2/20 0.53
ALOX15 P16050 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
DPP4 P27487 2/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GSR P00390 1/20 0.50
CYP1A2 P05177 1/20 0.50
GRIK1 P39086 1/20 0.50
GRM5 P41594 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50

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
SCHEMBL435320 1.00 FOLH1 (0.55) FOLH1NAALAD2RIMKLAKMT2AALOX15
SCHEMBL5970278 1.00 FOLH1 (0.55) FOLH1NAALAD2RIMKLAKMT2AALOX15
SCHEMBL30219250 1.00 FOLH1 (0.55) FOLH1NAALAD2RIMKLAKMT2AALOX15
SCHEMBL8382466 1.00 FOLH1 (0.55) FOLH1NAALAD2RIMKLAKMT2AALOX15
SCHEMBL31378334 1.00 FOLH1 (0.55) FOLH1NAALAD2RIMKLAKMT2AALOX15
SCHEMBL19373 1.00 FOLH1 (0.55) FOLH1NAALAD2RIMKLAKMT2AALOX15
SCHEMBL19374 1.00 FOLH1 (0.55) FOLH1NAALAD2RIMKLAKMT2AALOX15
SCHEMBL29706692 0.97 FOLH1 (0.51) FOLH1NAALAD2RIMKLAKMT2AALOX15
SCHEMBL30288867 0.97 FOLH1 (0.51) FOLH1NAALAD2RIMKLAKMT2AALOX15
SCHEMBL29636521 0.97 FOLH1 (0.51) FOLH1NAALAD2RIMKLAKMT2AALOX15

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
WO-2008033575-A9 METHODS OF IDENTIFYING BIOCHEMICAL PATHWAYS METABOLON INC (US) 2008-06-26 WO disclosed
WO-2008033575-A2 METHODS OF IDENTIFYING BIOCHEMICAL PATHWAYS METABOLON, INC. (US) 2008-03-20 WO disclosed