SCHEMBL5091950

SCHEMBL5091950

COC(=O)c1cc(OCCc2ccccc2)c2cc(F)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.58
ALDH1A1 P00352 1/20 0.47
DHODH Q02127 1/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
MMP13 P45452 1/20 0.42
PRNP P04156 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KMT2A Q03164 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
SCHEMBL5097673 0.94 PLA2G2A (0.57) PLA2G2AALDH1A1DHODHMMP13PRNP
SCHEMBL5090505 0.89 PLA2G2A (0.48) PLA2G2AALDH1A1DHODHCYP11B1CYP11B2
SCHEMBL5097651 0.88 PLA2G2A (0.53) PLA2G2ADHODHPRNPMTNR1AMTNR1B
SCHEMBL5093351 0.88 PLA2G2A (0.48) PLA2G2AALDH1A1DHODHPRNPKMT2A
SCHEMBL31389258 0.87 ALOX15 (0.52) PLA2G2AMMP13MTNR1AMTNR1B
SCHEMBL5098634 0.87 PLA2G2A (0.47) PLA2G2AALDH1A1DHODHPRNP
SCHEMBL5097709 0.86 PLA2G2A (0.47) PLA2G2AALDH1A1DHODHKMT2A
SCHEMBL5090515 0.86 PLA2G2A (0.47) PLA2G2AALDH1A1DHODHPRNPKMT2A
SCHEMBL5090528 0.85 PLA2G2A (0.43) PLA2G2AALDH1A1DHODHFFAR4PDE4D
SCHEMBL5093369 0.85 PLA2G2A (0.45) PLA2G2ADHODHCYP11B2PRNP

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