SCHEMBL5097666

SCHEMBL5097666

O=C(O)c1cc(OCCOc2ccc(F)cc2)c2cc(F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.42
SCN9A Q15858 1/20 0.42
DHODH Q02127 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
PPARD Q03181 1/20 0.39

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
SCHEMBL5098762 0.95 KDM4E (0.43) PPARASCN9ADHODHMEN1KMT2A
SCHEMBL5088616 0.93 MEN1 (0.44) DHODHMEN1KMT2AALOX15ALDH1A1
SCHEMBL5093263 0.91 SCN9A (0.43) SCN9AALDH1A1KCNH2
SCHEMBL5088654 0.89 CYSLTR1 (0.45) PPARADHODHMEN1KMT2AKCNH2
SCHEMBL5088530 0.89 DHODH (0.42) DHODHALOX15ALDH1A1PPARG
SCHEMBL5097669 0.89 PPARG (0.53) PPARAL3MBTL1PPARGPPARD
SCHEMBL5097709 0.88 PLA2G2A (0.47) PPARADHODHMEN1KMT2AALDH1A1
SCHEMBL4649127 0.86 ALOX15 (0.42) DHODHALOX15ALDH1A1NR1H4
SCHEMBL5097600 0.86 ALOX15 (0.42) DHODHALOX15ALDH1A1NR1H4
SCHEMBL5090505 0.85 PLA2G2A (0.48) DHODHALOX15ALDH1A1PPARG

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 5 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-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