SCHEMBL9925913

SCHEMBL9925913

Bc1ccc(CCC(=O)OCC)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.58
CYP4A11 Q02928 2/20 0.58
APP P05067 2/20 0.55
CYP4Z1 Q86W10 2/20 0.47
IAPP P10997 3/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
P2RY12 Q9H244 1/20 0.45
YWHAG P61981 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP4F11 Q9HBI6 1/20 0.39

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
SCHEMBL30291871 0.86 APP (0.73) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL490911 0.86 APP (0.73) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL16319014 0.84 CYP4F2 (0.61) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL3740648 0.82 CYP4F2 (0.58) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL5274836 0.82 CYP4F2 (0.58) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL27915291 0.82 CYP4F2 (0.58) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL1549436 0.81 CYP4F2 (0.61) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL8984895 0.81 CYP4F2 (0.61) CYP4F2CYP4A11APPCYP4Z1IAPP
SCHEMBL491225 0.81 CYP19A1 (0.60) CYP4F2CYP4A11APPGAAALOX5
SCHEMBL2432075 0.80 CYP4F2 (0.59) CYP4F2CYP4A11APPCYP4Z1IAPP

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-1569892-B1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-06-13 EP disclosed