SCHEMBL4621902

SCHEMBL4621902

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 2/20 0.38
IDO1 P14902 2/20 0.38
DHODH Q02127 4/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
PLA2G2A P14555 2/20 0.36
PTGES O14684 1/20 0.36
BACE1 P56817 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
SCHEMBL5704033 0.96 ALDH1A1 (0.40) ALOX15ALDH1A1PDE10AKDM4EIDO1
SCHEMBL5704026 0.96 ALDH1A1 (0.40) ALOX15ALDH1A1PDE10AKDM4EIDO1
SCHEMBL5098641 0.90 PLA2G2A (0.43) KDM4EIDO1DHODHHPGDPLA2G2A
SCHEMBL4620353 0.87 ALOX15 (0.43) ALOX15ALDH1A1PDE10AIDO1DHODH
SCHEMBL4620342 0.87 ALOX15 (0.43) ALOX15ALDH1A1PDE10AIDO1DHODH
SCHEMBL5704021 0.86 ALOX15 (0.42) ALOX15ALDH1A1PDE10AIDO1DHODH
SCHEMBL4622498 0.85 TSHR (0.42) ALOX15ALDH1A1PDE10AIDO1DHODH
SCHEMBL5704029 0.85 ALDH1A1 (0.32) ALOX15ALDH1A1PDE10AIDO1PLA2G2A
SCHEMBL4622564 0.83 KDM4E (0.37) ALDH1A1PDE10AKDM4EIDO1DHODH
SCHEMBL4620763 0.83 PDE10A (0.52) ALOX15ALDH1A1PDE10AKDM4EIDO1

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