SCHEMBL7167448

SCHEMBL7167448

CCCCCC(C)(C)c1ccc(OCC(O)COCC(F)(F)C(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.40
▸ AR P10275 1/20 0.39
▸ CNR2 P34972 13/20 0.38
▸ CNR1 P21554 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7165673 0.87 HTT (0.44) HTTHIF1ALMNAHSD17B10AR
SCHEMBL4071970 0.86 LMNA (0.44) HTTHIF1ALMNAHSD17B10PLA2G4B
SCHEMBL7167447 0.84 SMN1; SMN2 (0.47) HTTHIF1ALMNAHSD17B10AR
SCHEMBL7166226 0.83 MAPT (0.48) HTTHIF1ALMNAHSD17B10AR
SCHEMBL2108648 0.79 HTT (0.48) HTTHIF1ALMNAHSD17B10PLA2G4B
SCHEMBL7879429 0.77 LMNA (0.47) HTTHIF1ALMNAHSD17B10PLA2G4B
SCHEMBL2108251 0.75 ALDH1A1 (0.44) HTTHIF1ALMNAARTDP1
SCHEMBL9636030 0.74 MAPK1 (0.55) HTTHIF1ALMNAHSD17B10AR
SCHEMBL2108186 0.72 CNR2 (0.49) LMNAHSD17B10ARCNR2CNR1
SCHEMBL14695225 0.72 AR (0.67) HTTHIF1ALMNAHSD17B10AR

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
US-6566561-B1 Phenoxy fluoro-alcohols, their preparation, and their use as phase modifiers and solvating agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY 2003-05-20 — — US disclosed
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