SCHEMBL5092018

SCHEMBL5092018

O=C(O)c1cc(OCC2CCCCC2)c2cc(F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.47
RBP4 P02753 5/20 0.45
TTR P02766 3/20 0.45
MAP4K4 O95819 1/20 0.42
ATM Q13315 1/20 0.42
DHODH Q02127 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PTGER1 P34995 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
GUCY1B2 O75343 1/20 0.40
GUCY1A2 P33402 1/20 0.40
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL5703892 0.91 RBP4 (0.41) XDHRBP4TTRATMDHODH
SCHEMBL30744775 0.85 RBP4 (0.46) XDHRBP4TTR
SCHEMBL5703895 0.83 CNR2 (0.39) XDHATMDHODHIRAK4GUCY1B2
SCHEMBL5097600 0.80 ALOX15 (0.42) RBP4TTRDHODHNR1H4
SCHEMBL4620763 0.80 PDE10A (0.52) DHODHNR1H4
SCHEMBL4620353 0.79 ALOX15 (0.43) DHODH
SCHEMBL4620342 0.79 ALOX15 (0.43) DHODH
SCHEMBL4649127 0.78 ALOX15 (0.42) DHODHNR1H4
SCHEMBL5704021 0.78 ALOX15 (0.42) DHODH
SCHEMBL5090570 0.78 KDM4E (0.44) DHODH

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