SCHEMBL5088461

SCHEMBL5088461

COC(=O)c1cc(OCCOc2ccc(C#N)cc2)c2cc(F)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.43
MMP3 P08254 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SCN9A Q15858 14/20 0.41
HPGD P15428 1/20 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
SCHEMBL5097709 0.92 PLA2G2A (0.47) PLA2G2AALDH1A1MAPT
SCHEMBL5093263 0.89 SCN9A (0.43) ALDH1A1MAPTSCN9A
SCHEMBL5093351 0.88 PLA2G2A (0.48) PLA2G2AALDH1A1MAPT
SCHEMBL5088628 0.88 PLA2G2A (0.44) PLA2G2AALDH1A1MAPTHPGD
SCHEMBL5090593 0.87 PLA2G2A (0.46) PLA2G2A
SCHEMBL5098634 0.85 PLA2G2A (0.47) PLA2G2AALDH1A1MAPT
SCHEMBL5088597 0.84 PLA2G2A (0.45) PLA2G2AALDH1A1MAPTHPGD
SCHEMBL5093321 0.84 PLA2G2A (0.45) PLA2G2AALDH1A1
SCHEMBL5093341 0.84 MRGPRX4 (0.46) PLA2G2AMAPT
SCHEMBL5141934 0.83 FFAR4 (0.45) PLA2G2A

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