SCHEMBL9823683

SCHEMBL9823683

C=C(C)OC(=O)CC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 8/20 0.33
CES1 P23141 5/20 0.32
CES2 O00748 3/20 0.32
PLOD2 O00469 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PLOD3 O60568 1/20 0.32
PLOD1 Q02809 1/20 0.32
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL4466465 0.82 PLOD2 (0.39) HSD17B10FAAHCES1CES2PLOD2
SCHEMBL11763114 0.79 TDP1 (0.55) HSD17B10TDP1ALDH1A1MGAMGAA
SCHEMBL967731 0.75 MGAM (0.55) HSD17B10TDP1ALDH1A1MGAMGAA
SCHEMBL197340 0.75 MGAM (0.48) HSD17B10FAAHCES1CES2PLOD2
SCHEMBL10690369 0.73 HSD17B10 (0.48) HSD17B10TDP1MEN1KMT2AALDH1A1
SCHEMBL28371084 0.72 FAAH (0.41) HSD17B10FAAHCES1CES2PLOD2
SCHEMBL10139381 0.72 THRB (0.53) TDP1CES2PLOD2PLOD3PLOD1
SCHEMBL12651369 0.71 PLOD2 (0.39) HSD17B10TDP1FAAHCES1CES2
SCHEMBL27628030 0.71 PLOD2 (0.44) HSD17B10FAAHCES1CES2PLOD2
SCHEMBL13696767 0.71 TDP1 (0.41) HSD17B10TDP1MEN1KMT2AALDH1A1

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-0265305-B1 5-PYRAZOLONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS HERBICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-06-12 EP disclosed
EP-0265305-A1 5-Pyrazolone derivatives, process for their preparation, their use as herbicides and compositions containing them ROUSSEL-UCLAF (FR) 1988-04-27 EP disclosed