SCHEMBL7764434

SCHEMBL7764434

FC(F)(F)C(=C1CCC2(CC1)OCCO2)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1252571 0.76 KDM4E (0.30) KDM4ELMNATP53HTTSMN1; SMN2
SCHEMBL7899069 0.75
SCHEMBL12918303 0.74
SCHEMBL2977303 0.73 HPGD (0.33) KDM4EALDH1A1LMNATP53HPGD
SCHEMBL31387231 0.71 KDM4E (0.30) KDM4ELMNATP53HTTSMN1; SMN2
SCHEMBL19973082 0.71 ALDH1A1 (0.33) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL7766790 0.69
SCHEMBL7765216 0.67
SCHEMBL12575188 0.67
SCHEMBL24034274 0.65 PTPN1 (0.36) KDM4ELMNATP53HTTSMN1; SMN2

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
EP-1100785-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES Aventis CropScience GmbH (DE) 2001-05-23 EP disclosed
US-6197729-B1 COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND HOECHST SCHERING AGREVO (DE) 2001-03-06 US disclosed
WO-2000007998-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES AVENTIS CROPSCIENCE GMBH (DE) 2000-02-17 WO disclosed