SCHEMBL4621671

SCHEMBL4621671

COC(=O)c1cc(OCCCCl)c2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
DHODH Q02127 1/20 0.42
CASP3 P42574 2/20 0.39
PRNP P04156 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.37
CYP11B2 P19099 1/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
NR2F2 P24468 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
KLF5 Q13887 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5093369 0.95 PLA2G2A (0.45) PLA2G2AKDM4EHSD17B10DHODHCASP3
SCHEMBL5092051 0.89 PLA2G2A (0.44) PLA2G2AKDM4EHSD17B10DHODHCASP3
SCHEMBL14255061 0.89 KDM4E (0.38) PLA2G2AKDM4EHSD17B10DHODHCASP3
SCHEMBL4649127 0.88 ALOX15 (0.42) KDM4EHSD17B10DHODHIDO1GAA
SCHEMBL5090593 0.87 PLA2G2A (0.46) PLA2G2AKDM4EHSD17B10DHODHSMN1; SMN2
SCHEMBL5098634 0.87 PLA2G2A (0.47) PLA2G2AKDM4EHSD17B10DHODHPRNP
SCHEMBL5097709 0.87 PLA2G2A (0.47) PLA2G2AKDM4EHSD17B10DHODHMAPT
SCHEMBL5093321 0.87 PLA2G2A (0.45) PLA2G2AKDM4EHSD17B10DHODHIDO1
SCHEMBL4620316 0.86 PLA2G2A (0.47) PLA2G2AKDM4EHSD17B10DHODHCASP3
SCHEMBL5097673 0.86 PLA2G2A (0.57) PLA2G2AKDM4EHSD17B10DHODHPRNP

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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