SCHEMBL5098762

SCHEMBL5098762

O=C(O)c1cc(OCCCCCOc2ccc(F)cc2)c2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 5/20 0.43
PPARD Q03181 4/20 0.43
PPARG P37231 3/20 0.43
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SCN9A Q15858 1/20 0.41
DHODH Q02127 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 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
SCHEMBL5097666 0.95 PPARA (0.42) PPARAPPARDPPARGKCNH2HRH3
SCHEMBL5088654 0.92 CYSLTR1 (0.45) PPARAPPARDPPARGKCNH2HRH3
SCHEMBL5090593 0.89 PLA2G2A (0.46) KDM4ESMN1; SMN2PPARAPPARDPPARG
SCHEMBL5088616 0.88 MEN1 (0.44) KDM4ESMN1; SMN2KCNH2HRH3DHODH
SCHEMBL5088569 0.86 DHODH (0.45) KDM4EDHODHALDH1A1ALOX15
SCHEMBL5093263 0.86 SCN9A (0.43) KCNH2SCN9AALDH1A1
SCHEMBL4649127 0.86 ALOX15 (0.42) KDM4EDHODHALDH1A1ALOX15
SCHEMBL5088530 0.84 DHODH (0.42) PPARGDHODHALDH1A1ALOX15
SCHEMBL5097669 0.84 PPARG (0.53) PPARAPPARDPPARGLMNA
SCHEMBL5097600 0.84 ALOX15 (0.42) KDM4EDHODHALDH1A1ALOX15

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