SCHEMBL9618459

SCHEMBL9618459

CCC(ON=C(C)C)c1ccc2c(Cl)ccc(OCC(=O)O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
PKM P14618 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX12 P18054 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
PPARG P37231 1/20 0.34
CASP7 P55210 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL339944 0.76 KDM4E (0.43) KDM4EPKMHTTTDP1TSHR
SCHEMBL1358303 0.75 MAPT (0.41) KDM4EPKMHTTTDP1TSHR
SCHEMBL342560 0.74 KDM4E (0.47) KDM4EPKMHTTTDP1TSHR
SCHEMBL342126 0.72 KDM4E (0.45) KDM4EPKMHTTTDP1TSHR
SCHEMBL341877 0.71 HTT (0.38) KDM4EPKMHTTTDP1TSHR
SCHEMBL3609400 0.68 KDM4E (0.41) KDM4EPKMHTTTDP1TSHR
SCHEMBL29490828 0.66 PKM (0.71) KDM4EPKMHTTTDP1TSHR
SCHEMBL137002 0.66 PKM (0.71) KDM4EPKMHTTTDP1TSHR
SCHEMBL3988279 0.66 TDP1 (0.47) KDM4EPKMHTTTDP1TSHR
Water SCHEMBL6469488 0.65 PKM (0.70) KDM4EPKMHTTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4308577-A None JP disclosed
JP-H04308577-A NOVEL 5-CHLOLOQUINOLINE-8-OXYALKANECARBOXYLIC ACID DERIVATIVE, ITS PRODUCTION AND ITS USE AS ANTIDOTE FOR HERBICIDE HOECHST AG 1992-10-30 JP disclosed