SCHEMBL15313680

SCHEMBL15313680

CCCCCCCCCCC(=O)c1cc(C(CCCCCCCCCC)c2ccccc2)c(O)c(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
PLA2G2A P14555 1/20 0.45
PLA2G5 P39877 1/20 0.45
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
ASAH1 Q13510 2/20 0.41
ACER2 Q5QJU3 1/20 0.41
TBXA2R P21731 1/20 0.41
CERT1 Q9Y5P4 3/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
HSD17B3 P37058 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
SCHEMBL15314353 0.91 PPARG (0.42) ALDH1A1MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL9468232 0.80 PLA2G2A (0.55) FFAR1PLA2G2APLA2G5HTTALDH1A1
SCHEMBL15313675 0.79 PLA2G2A (0.54) FFAR1PLA2G2APLA2G5HTTALDH1A1
SCHEMBL6654044 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AASAH1ACER2
SCHEMBL15313671 0.79 PLA2G2A (0.54) FFAR1PLA2G2APLA2G5HTTALDH1A1
SCHEMBL15313668 0.77 PLA2G2A (0.51) FFAR1PLA2G2APLA2G5HTTALDH1A1
SCHEMBL15313679 0.77 CYSLTR2 (0.46) ALOX5HTTMEN1MAPTKMT2A
SCHEMBL28441962 0.76 ALDH1A1 (0.51) ALDH1A1
SCHEMBL31108377 0.74 ASAH1 (0.52) ALDH1A1MAPTKMT2AASAH1ACER2
SCHEMBL7011219 0.74 ASAH1 (0.52) ALDH1A1MAPTKMT2AASAH1ACER2

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-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed