SCHEMBL19742331

SCHEMBL19742331

CCC(C)(CC)C(=O)OCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
PPARA Q07869 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FABP7 O15540 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
SCHEMBL14682470 0.90 HTT (0.41) HTTPPARA
SCHEMBL13414944 0.90 HTT (0.41) HTTPPARA
SCHEMBL21214509 0.88 HTT (0.39) HTTPPARAHSD17B10TSHRLMNA
SCHEMBL13344948 0.88 HTT (0.39) HTTPPARA
SCHEMBL19261605 0.87 HTT (0.38) HTTPPARANPC1RAB9ASMN1; SMN2
SCHEMBL26188254 0.87 HTT (0.38) HTTPPARANPC1RAB9ASMN1; SMN2
SCHEMBL23005578 0.84 HTT (0.50) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL12939350 0.83 HTT (0.45) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL106916 0.83 HTT (0.45) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL15294536 0.82 HTT (0.35) HTT

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
US-20170373348-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING THE SAME UBE INDUSTRIES, LTD (JP) 2017-12-28 US claimed
US-20170373348-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING THE SAME UBE INDUSTRIES, LTD (JP) 2017-12-28 US disclosed