SCHEMBL5097651

SCHEMBL5097651

COC(=O)c1cc(OCCOc2ccccc2OC)c2cc(F)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.53
DHODH Q02127 2/20 0.46
ALOX15 P16050 1/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
PRNP P04156 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5093351 0.91 PLA2G2A (0.48) PLA2G2ADHODHLMNAMAPTKDM4E
SCHEMBL5088520 0.91 ALOX15 (0.56) PLA2G2ADHODHALOX15LMNANPSR1
SCHEMBL5090515 0.89 PLA2G2A (0.47) PLA2G2ADHODHALOX15MAPTKDM4E
SCHEMBL5098634 0.88 PLA2G2A (0.47) PLA2G2ADHODHLMNAMAPTKDM4E
SCHEMBL5091950 0.88 PLA2G2A (0.58) PLA2G2ADHODHMTNR1AMTNR1BPRNP
SCHEMBL5097709 0.87 PLA2G2A (0.47) PLA2G2ADHODHMAPTKDM4ERAB9A
SCHEMBL5088597 0.87 PLA2G2A (0.45) PLA2G2ADHODHLMNAMAPTKDM4E
SCHEMBL5097673 0.87 PLA2G2A (0.57) PLA2G2ADHODHMAPTKDM4EMTNR1B
SCHEMBL5093341 0.87 MRGPRX4 (0.46) PLA2G2ADHODHMAPTKDM4ERAB9A
SCHEMBL5093369 0.86 PLA2G2A (0.45) PLA2G2ADHODHMAPTKDM4EPRNP

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