SCHEMBL5090503

SCHEMBL5090503

COC(=O)c1cc(OCC(=O)c2ccc(OC)cc2)c2cc(F)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.51
KCNH2 Q12809 2/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NQO2 P16083 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
SCHEMBL5093348 0.94 PKM (0.44) PLA2G2AMAPTKDM4ENPC1RAB9A
SCHEMBL5097671 0.91 RECQL (0.46) PLA2G2AKCNH2MAPTALDH1A1KDM4E
SCHEMBL5088547 0.90 PLA2G2A (0.47) PLA2G2AMAPTKDM4ENPC1RAB9A
SCHEMBL5091959 0.90 PLA2G2A (0.45) PLA2G2AKCNH2MAPTNPC1RAB9A
SCHEMBL5091911 0.89 NPC1 (0.53) PLA2G2AKCNH2MAPTALDH1A1KDM4E
SCHEMBL5097655 0.89 MAPT (0.46) PLA2G2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5090535 0.89 DHODH (0.52) PLA2G2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5088571 0.88 RAB9A (0.48) PLA2G2AMAPTALDH1A1NPC1RAB9A
SCHEMBL5097639 0.87 PLA2G2A (0.48) PLA2G2AKCNH2MAPTNPC1RAB9A
SCHEMBL5088534 0.86 PLA2G2A (0.42) PLA2G2AKCNH2MAPTALDH1A1KDM4E

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