SCHEMBL5088520

SCHEMBL5088520

COc1ccccc1OCCOc1cc(C(=O)O)nc2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 2/20 0.49
PLA2G2A P14555 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.46
DHODH Q02127 2/20 0.46
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE10A Q9Y233 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL5097651 0.91 PLA2G2A (0.53) ALOX15PLA2G2ALMNAKDM4EDHODH
SCHEMBL5090505 0.84 PLA2G2A (0.48) ALOX15ALDH1A1PLA2G2ADHODHPDE10A
SCHEMBL5097666 0.84 PPARA (0.42) ALOX15ALDH1A1DHODHL3MBTL1TDP1
SCHEMBL5092001 0.84 PDE10A (0.43) ALOX15ALDH1A1KDM4EDHODHMAPT
SCHEMBL5098674 0.83 PLA2G2A (0.47) ALOX15ALDH1A1PLA2G2AKDM4EDHODH
SCHEMBL5088530 0.83 DHODH (0.42) ALOX15ALDH1A1DHODHMAPT
SCHEMBL5088569 0.83 DHODH (0.45) ALOX15ALDH1A1KDM4EDHODHPDE10A
SCHEMBL4649127 0.83 ALOX15 (0.42) ALOX15ALDH1A1KDM4EDHODHPDE10A
SCHEMBL5097600 0.83 ALOX15 (0.42) ALOX15ALDH1A1KDM4EDHODHPDE10A
SCHEMBL4620763 0.82 PDE10A (0.52) ALOX15ALDH1A1KDM4EDHODHSMN1; SMN2

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 3 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