SCHEMBL1120000

SCHEMBL1120000

CCC(C(=O)O)n1nc(C(F)(F)C(F)(F)F)cc1C(=O)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRN P28799 4/20 0.32
SORT1 Q99523 4/20 0.32

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
SCHEMBL1120063 0.90 KLKB1 (0.36) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1120262 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1120112 0.74 GRN (0.37) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1120194 0.70 KDM4E (0.38) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL2796935 0.69 MAPT (0.39) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1119997 0.69 GRN (0.39) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL15484996 0.68 KDM4E (0.46) KDM4EALDH1A1HPGD
SCHEMBL15485255 0.65 KDM4E (0.39) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL2355530 0.64 GRN (0.67) KDM4EALDH1A1HSD17B10GRNSORT1
SCHEMBL14487490 0.63 CRACR2A (0.44)

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
EP-2280965-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-02-09 EP disclosed
WO-2009132785-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2009-11-05 WO disclosed