SCHEMBL4621940

SCHEMBL4621940

COc1ccc(C(=O)COc2cc(C(=O)O)nc3ccc(F)cc23)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
ACHE P22303 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43

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
SCHEMBL5097655 0.92 MAPT (0.46) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL5093356 0.88 PKM (0.44) MEN1KMT2AMAPTALOX15ALDH1A1
SCHEMBL4621944 0.85 MEN1 (0.44) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL5091930 0.85 HTT (0.54) MEN1KMT2AMAPTALOX15ALDH1A1
SCHEMBL5093348 0.81 PKM (0.44) MEN1KMT2AMAPTCA12CA9
SCHEMBL5088520 0.81 ALOX15 (0.56) MAPTALOX15ALDH1A1KDM4E
SCHEMBL5090570 0.81 KDM4E (0.44) ALOX15ALDH1A1KDM4E
SCHEMBL5090503 0.80 PLA2G2A (0.51) MAPTALDH1A1KDM4E
SCHEMBL5097671 0.79 RECQL (0.46) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL5088534 0.78 PLA2G2A (0.42) MEN1KMT2AMAPTALDH1A1CYP1A2

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 11 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-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