SCHEMBL16612801

SCHEMBL16612801

COC(=O)Oc1ccc(C(F)(F)C(F)F)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 12/20 0.38
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
JAK2 O60674 1/20 0.34
HSD17B1 P14061 3/20 0.34
GLA P06280 1/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL3088157 0.87 HSD17B2 (0.48) HSD17B2HSD17B1
SCHEMBL4667450 0.84 HSD17B2 (0.38) HSD17B2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3089511 0.82 HSD17B2 (0.37) HSD17B2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL16612938 0.82 HSD17B2 (0.37) HSD17B2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL4898591 0.78 KDM4E (0.54) HSD17B2KDM4EMAPTGAAHSD17B1
SCHEMBL3092091 0.76 HSD17B2 (0.40) HSD17B2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3088095 0.72 HSD17B2 (0.49) HSD17B2HSD17B1
SCHEMBL17844559 0.71 KDM4E (0.51) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL3079789 0.70 TYMS (0.39) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL3077346 0.69 HSD17B2 (0.40) HSD17B2HSD17B1

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-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP disclosed