SCHEMBL6259908

SCHEMBL6259908

NN(Cc1ccccc1)C(CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.43
KEAP1 Q14145 1/20 0.43
FOLH1 Q04609 3/20 0.42
SLC15A1 P46059 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL6259913 1.00 CPA3 (0.50) CPA3NAALAD2KEAP1FOLH1SLC15A1
SCHEMBL11488435 0.86 FFAR1 (0.44) CPA3FOLH1FFAR1ALDH1A1
SCHEMBL19384899 0.83 CPA3 (0.53) CPA3NAALAD2KEAP1FOLH1NPC1
SCHEMBL536546 0.83 CPA3 (0.53) CPA3NAALAD2KEAP1FOLH1NPC1
SCHEMBL536547 0.83 CPA3 (0.53) CPA3NAALAD2KEAP1FOLH1NPC1
Hydrochloric Acid SCHEMBL3025758 0.82 CPA3 (0.51) CPA3NAALAD2KEAP1FOLH1NPC1
SCHEMBL3795262 0.82 CPA3 (0.51) CPA3NAALAD2KEAP1FOLH1NPC1
Hydrochloric Acid SCHEMBL3025760 0.82 CPA3 (0.51) CPA3NAALAD2KEAP1FOLH1NPC1
SCHEMBL3380508 0.77 CPA3 (0.46) CPA3NAALAD2KEAP1FOLH1NPC1
SCHEMBL8398528 0.74 NPC1 (0.41) CPA3NPC1RAB9AEPORCYP1A2

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-2005013666-A2 NOVEL TRANSLOCATION ASSAY GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2005-02-17 WO disclosed