SCHEMBL5093263

SCHEMBL5093263

N#Cc1ccc(OCCOc2cc(C(=O)O)nc3ccc(F)cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MMP2 P08253 1/20 0.41
SCN7A Q01118 4/20 0.40
KCNH2 Q12809 4/20 0.40

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
SCHEMBL5097666 0.91 PPARA (0.42) SCN9AALDH1A1KCNH2
SCHEMBL5088461 0.89 PLA2G2A (0.43) SCN9AALDH1A1MAPT
SCHEMBL5088616 0.86 MEN1 (0.44) ALDH1A1KCNH2
SCHEMBL5098762 0.86 KDM4E (0.43) SCN9AALDH1A1KCNH2
SCHEMBL5088654 0.83 CYSLTR1 (0.45) KCNH2
SCHEMBL5088530 0.83 DHODH (0.42) ALDH1A1MAPT
SCHEMBL5097669 0.83 PPARG (0.53)
SCHEMBL5093352 0.81 ALOX15 (0.41) SCN9AALDH1A1
SCHEMBL5097600 0.80 ALOX15 (0.42) ALDH1A1
SCHEMBL4649127 0.80 ALOX15 (0.42) ALDH1A1

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