SCHEMBL8856845

SCHEMBL8856845

N#CC(CCC(=O)O)(CC(CCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.43
GRM3 Q14832 2/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
TET2 Q6N021 3/20 0.37
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
TET3 O43151 1/20 0.37

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
SCHEMBL7932882 0.80 FOLH1 (0.46) FOLH1GRM3NAALAD2
SCHEMBL8856907 0.78 ALDH1A1 (0.39) NAALAD2
SCHEMBL7941504 0.74 FOLH1 (0.50) FOLH1GRM3NAALAD2
SCHEMBL7941425 0.71 FOLH1 (0.56) FOLH1GRM3NAALAD2
SCHEMBL8856829 0.69 FOLH1 (0.44) FOLH1GRM3NAALAD2
SCHEMBL30219784 0.68 FOLH1 (0.52) FOLH1GRM3NAALAD2
SCHEMBL8736328 0.68 FOLH1 (0.47) FOLH1GRM3NAALAD2
SCHEMBL30800248 0.67 FOLH1 (0.56) FOLH1GRM3NAALAD2
SCHEMBL9705724 0.67 FOLH1 (0.56) FOLH1GRM3NAALAD2
SCHEMBL108166 0.67 FOLH1 (0.76) FOLH1GRM3NAALAD2TET2KDM4A

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
US-5683618-A MIXTURES OF ESTERS, KETONES OR NITRILES FOR LUBRICANTS FOR STABILITY ALBEMARLE CORPORATION (US) 1997-11-04 US disclosed