SCHEMBL1120063

SCHEMBL1120063

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
CARM1 Q86X55 6/20 0.35
KDM4E B2RXH2 5/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33

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
SCHEMBL1120000 0.90 KDM4E (0.33) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL1120194 0.80 KDM4E (0.38) KLKB1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2796935 0.79 MAPT (0.39) KLKB1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL15484996 0.78 KDM4E (0.46) ALDH1A1CYP3A4KDM4EHPGDLMNA
SCHEMBL1119997 0.76 GRN (0.39) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL14487490 0.73 CRACR2A (0.44) POLB
SCHEMBL1120262 0.71 KDM4E (0.36) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL1120112 0.71 GRN (0.37) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL14487840 0.70 IDH1 (0.39) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL15491636 0.69 LMNA (0.45) ALDH1A1HSD17B10CYP3A4KDM4EHPGD

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