SCHEMBL5088534

SCHEMBL5088534

COC(=O)c1cc(OCC(=O)c2ccc(Cl)c(Cl)c2)c2cc(F)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.42
ALDH1A1 P00352 2/20 0.40
AGTR1 P30556 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHODH Q02127 1/20 0.37
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL5091959 0.90 PLA2G2A (0.45) PLA2G2AMAPTSMN1; SMN2HPGDCYP3A4
SCHEMBL5093348 0.90 PKM (0.44) PLA2G2AKDM4EMAPTHTTSMN1; SMN2
SCHEMBL5097655 0.87 MAPT (0.46) PLA2G2AALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL5097671 0.87 RECQL (0.46) PLA2G2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL5088547 0.86 PLA2G2A (0.47) PLA2G2AKDM4EMAPTSMN1; SMN2NPC1
SCHEMBL5090503 0.86 PLA2G2A (0.51) PLA2G2AALDH1A1KDM4EMAPTPOLB
SCHEMBL5090535 0.85 DHODH (0.52) PLA2G2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5091911 0.83 NPC1 (0.53) PLA2G2AALDH1A1KDM4EMAPTPOLB
SCHEMBL5088571 0.81 RAB9A (0.48) PLA2G2AALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL5093345 0.81 PLA2G2A (0.45) PLA2G2AKDM4EHTTSMN1; SMN2DHODH

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