SCHEMBL12019171

SCHEMBL12019171

CCNC(CCCC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.48
NAALAD2 Q9Y3Q0 2/20 0.48
RIMKLA Q8IXN7 1/20 0.48
GNPAT O15228 2/20 0.42
GGH Q92820 1/20 0.42
CMKLR1 Q99788 1/20 0.41
AKR1B1 P15121 1/20 0.41
NOD1 Q9Y239 1/20 0.41
FPR2 P25090 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 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
SCHEMBL911011 0.88 FOLH1 (0.63) FOLH1NAALAD2RIMKLAGGH
SCHEMBL910469 0.88 FOLH1 (0.63) FOLH1NAALAD2RIMKLAGGH
SCHEMBL73336 0.88 FOLH1 (0.63) FOLH1NAALAD2RIMKLAGGH
Hydrogen Sulfide SCHEMBL27842653 0.86 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGH
Ammonia Solution, Strong SCHEMBL4947922 0.86 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGH
SCHEMBL1300787 0.85 NOD1 (0.46) FOLH1AKR1B1NOD1FPR2NFKB1
SCHEMBL3861605 0.83 CA2 (0.48) FOLH1NOD1GPR84PPARD
SCHEMBL3861604 0.83 CA2 (0.48) FOLH1NOD1GPR84PPARD
SCHEMBL8768410 0.82 FOLH1 (0.45) FOLH1NAALAD2RIMKLAGNPATALDH1A1
SCHEMBL21689984 0.82 GPR84 (0.50) FOLH1NOD1GPR84PPARD

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
EP-1931673-B1 COMPOUNDS COMPRISING SHORT AMINOALCOHOL CHAINS AND METAL COMPLEXES FOR MEDICAL IMAGING GUERBET SA (FR) 2012-08-29 EP disclosed