SCHEMBL5092001

SCHEMBL5092001

Cc1cccc(OCCOc2cc(C(=O)O)nc3ccc(F)cc23)c1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
ALOX15 P16050 1/20 0.42
DHODH Q02127 7/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NCF1 P14598 1/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1B P28222 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
SCHEMBL5098637 0.90 DHODH (0.46) PDE10ADHODHMEN1KMT2ANCF1
SCHEMBL5088530 0.84 DHODH (0.42) ALOX15DHODHPPARGMAPTALDH1A1
SCHEMBL5088520 0.84 ALOX15 (0.56) PDE10AALOX15DHODHPOLBTDP1
SCHEMBL5097666 0.82 PPARA (0.42) ALOX15DHODHMEN1KMT2APPARG
SCHEMBL5088569 0.81 DHODH (0.45) PDE10AALOX15DHODHKDM4EALDH1A1
SCHEMBL4649127 0.81 ALOX15 (0.42) PDE10AALOX15DHODHKDM4EGAA
SCHEMBL5097600 0.81 ALOX15 (0.42) PDE10AALOX15DHODHKDM4EGAA
SCHEMBL4620763 0.80 PDE10A (0.52) PDE10AALOX15DHODHMEN1KMT2A
SCHEMBL5090505 0.80 PLA2G2A (0.48) PDE10AALOX15DHODHPPARGALDH1A1
SCHEMBL5098674 0.79 PLA2G2A (0.47) PDE10AALOX15DHODHKDM4EMAPT

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