SCHEMBL4622296

SCHEMBL4622296

C=CCOc1cc(C(=O)OC)nc2ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.44
DHODH Q02127 1/20 0.42
CASP3 P42574 2/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
LIG1 P18858 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL4622498 0.88 TSHR (0.42) DHODHCASP3HTR2AHTR2CMAPT
SCHEMBL5098641 0.87 PLA2G2A (0.43) PLA2G2ADHODHCASP3KDM4EHSD17B10
SCHEMBL4620316 0.85 PLA2G2A (0.47) PLA2G2ADHODHCASP3KDM4EHSD17B10
SCHEMBL4621671 0.82 PLA2G2A (0.45) PLA2G2ADHODHCASP3KDM4EHSD17B10
SCHEMBL5093345 0.82 PLA2G2A (0.45) PLA2G2ADHODHCASP3KDM4EHSD17B10
SCHEMBL5093369 0.82 PLA2G2A (0.45) PLA2G2ADHODHCASP3KDM4EHSD17B10
SCHEMBL5097709 0.81 PLA2G2A (0.47) PLA2G2ADHODHKDM4EHSD17B10MAPT
SCHEMBL5090537 0.81 PLA2G2A (0.44) PLA2G2ADHODHCASP3KDM4EHSD17B10
SCHEMBL5092051 0.81 PLA2G2A (0.44) PLA2G2ADHODHCASP3KDM4EHSD17B10
SCHEMBL5093351 0.81 PLA2G2A (0.48) PLA2G2ADHODHKDM4EHSD17B10LMNA

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 6 patents. 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
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
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
EP-1696924-B1 ACIDIC QUINOLINE DERIVATIVES AND THEIR USE FOR THE PREVENTION AND/OR TREATMENT OF HYPERGLYCAEMIA-RELATED PATHOLOGIES MERCK PATENT GMBH (DE) 2008-03-26 EP disclosed
EP-1696924-A1 ACIDIC QUINOLINE DERIVATIVES AND THEIR USE FOR THE PREVENTION AND/OR TREATMENT OF HYPERGLYCAEMIA-RELATED PATHOLOGIES MERCK PATENT GmbH (DE) 2006-09-06 EP disclosed
WO-2005063244-A1 ACIDIC QUINOLINE DERIVATIVES AND THEIR USE FOR THE PREVENTION AND/OR TREATMENT OF HYPERGLYCAEMIA-RELATED PATHOLOGIES MERCK PATENT GMBH (DE) 2005-07-14 WO disclosed