SCHEMBL11404792

SCHEMBL11404792

C#CN[C@@H](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
GGH Q92820 1/20 0.47
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TET2 Q6N021 3/20 0.41
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
TET3 O43151 1/20 0.41
CYP1A2 P05177 2/20 0.40
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GSR P00390 1/20 0.40
GRIK1 P39086 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
SCHEMBL11406719 0.88 FOLH1 (0.42) FOLH1NAALAD2RIMKLACYP2D6NFKB1
SCHEMBL5416059 0.81 FOLH1 (0.57) FOLH1NAALAD2RIMKLAGGHTET2
SCHEMBL11405346 0.78 CA2 (0.41) FOLH1NAALAD2RIMKLAMAPT
SCHEMBL29569724 0.76 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGGHTET2
SCHEMBL28663570 0.76 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGGHCYP2D6
SCHEMBL8846969 0.76 FOLH1 (0.45) FOLH1LMNACYP1A2GSR
SCHEMBL1661318 0.76 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGGHCYP2D6
SCHEMBL162038 0.76 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGHTET2
SCHEMBL162037 0.76 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGHTET2
SCHEMBL31599178 0.76 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGHTET2

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
US-4133964-A CEPHALOSPORIN INTERMEDIATES, BACTERICIDES, STIMULANTS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-09 US claimed
US-4190586-A α-Acetylenic derivatives of α-amino acids MERRELL TORAUDE ET COMPAGNIE (FR) 1980-02-26 US disclosed
US-4133964-A CEPHALOSPORIN INTERMEDIATES, BACTERICIDES, STIMULANTS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-09 US disclosed