SCHEMBL4621100

SCHEMBL4621100

COC(=O)Oc1cc(OCCCCl)c2cc(F)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CASP3 P42574 2/20 0.40
PLA2G2A P14555 4/20 0.39
PRNP P04156 1/20 0.38
DHODH Q02127 2/20 0.36
IDO1 P14902 2/20 0.36
HTR7 P34969 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GAA P10253 2/20 0.34

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
SCHEMBL4622162 0.86 CASP3 (0.39) KDM4EHSD17B10CASP3PLA2G2APRNP
SCHEMBL4621671 0.81 PLA2G2A (0.45) KDM4EHSD17B10CASP3PLA2G2APRNP
SCHEMBL4649127 0.78 ALOX15 (0.42) KDM4EHSD17B10DHODHIDO1PDE10A
SCHEMBL5093369 0.77 PLA2G2A (0.45) KDM4EHSD17B10CASP3PLA2G2APRNP
SCHEMBL4621639 0.76 PDE10A (0.47) KDM4ECASP3PRNPDHODHIDO1
SCHEMBL14255061 0.75 KDM4E (0.38) KDM4EHSD17B10CASP3PLA2G2ADHODH
SCHEMBL5097600 0.73 ALOX15 (0.42) KDM4EHSD17B10DHODHIDO1PDE10A
SCHEMBL4622564 0.71 KDM4E (0.37) KDM4EHSD17B10CASP3PLA2G2APRNP
SCHEMBL5092051 0.71 PLA2G2A (0.44) KDM4EHSD17B10CASP3PLA2G2APRNP
SCHEMBL5090593 0.70 PLA2G2A (0.46) KDM4EHSD17B10PLA2G2ADHODH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696924-B1 ACIDIC QUINOLINE DERIVATIVES AND THEIR USE FOR THE PREVENTION AND/OR TREATMENT OF HYPERGLYCAEMIA-RELATED PATHOLOGIES MERCK PATENT GMBH (DE) 2008-03-26 EP claimed