SCHEMBL5098641

SCHEMBL5098641

COC(=O)c1cc(OCC=C(C)C)c2cc(F)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.43
DHODH Q02127 1/20 0.41
PTGES O14684 2/20 0.39
KDM4E B2RXH2 3/20 0.38
CASP3 P42574 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PRNP P04156 1/20 0.38
CYP11B2 P19099 1/20 0.36
IDO1 P14902 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NR2F2 P24468 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL4621902 0.90 ALOX15 (0.42) PLA2G2ADHODHPTGESKDM4EIDO1
SCHEMBL4622296 0.87 PLA2G2A (0.44) PLA2G2ADHODHKDM4ECASP3HSD17B10
SCHEMBL5704026 0.86 ALDH1A1 (0.40) PLA2G2ADHODHPTGESKDM4EIDO1
SCHEMBL5704033 0.86 ALDH1A1 (0.40) PLA2G2ADHODHPTGESKDM4EIDO1
SCHEMBL4620316 0.84 PLA2G2A (0.47) PLA2G2ADHODHKDM4ECASP3HSD17B10
SCHEMBL5093345 0.84 PLA2G2A (0.45) PLA2G2ADHODHKDM4ECASP3HSD17B10
SCHEMBL5093348 0.82 PKM (0.44) PLA2G2ADHODHKDM4EPRNPMEN1
SCHEMBL5090548 0.82 PLA2G2A (0.43) PLA2G2ADHODHKDM4ECASP3HSD17B10
SCHEMBL5093369 0.81 PLA2G2A (0.45) PLA2G2ADHODHKDM4ECASP3HSD17B10
SCHEMBL4621671 0.81 PLA2G2A (0.45) PLA2G2ADHODHKDM4ECASP3HSD17B10

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-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed