SCHEMBL7166226

SCHEMBL7166226

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ AR P10275 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ MAOB P27338 1/20 0.38

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 0.88 HTT (0.44) MAPTGAAHTTHIF1ALMNA
SCHEMBL7167447 0.87 SMN1; SMN2 (0.47) MAPTGAAHTTHIF1ALMNA
SCHEMBL15677170 0.84 MAPT (0.58) MAPTGAAHTTHIF1ALMNA
SCHEMBL7167448 0.83 HTT (0.43) HTTHIF1ALMNAHSD17B10AR
SCHEMBL15677148 0.82 MAPT (0.63) MAPTGAAHTTHIF1ALMNA
SCHEMBL2108251 0.81 ALDH1A1 (0.44) MAPTGAAHTTHIF1ALMNA
SCHEMBL17036998 0.80 LMNA (0.56) MAPTGAAHTTHIF1ALMNA
SCHEMBL14694972 0.79 AR (0.67) MAPTGAAHTTHIF1ALMNA
SCHEMBL14695225 0.79 AR (0.67) MAPTGAAHTTHIF1ALMNA
SCHEMBL14694822 0.79 AR (0.67) MAPTGAAHTTHIF1ALMNA

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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