SCHEMBL5792466

SCHEMBL5792466

CCC(C)c1ccc(OC(OCC(F)(F)C(F)F)C(C)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP2C9 P11712 2/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HPGD P15428 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
SCHEMBL7163291 0.75 ALDH1A1 (0.37) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL2108251 0.73 ALDH1A1 (0.44) ALDH1A1TSHRGAAMAPTKMT2A
SCHEMBL13918197 0.71 ALDH1A1 (0.42) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL17679434 0.70 ALDH1A1 (0.54) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL10203858 0.70 ALDH1A1 (0.54) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL15299245 0.70 ALDH1A1 (0.50) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL12403374 0.70 ALDH1A1 (0.46) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL17552594 0.69 ALDH1A1 (0.40) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL14258802 0.68 ALDH1A1 (0.38) ALDH1A1TSHRGAAMAPTSLC7A5
SCHEMBL17070151 0.68 ALDH1A1 (0.45) ALDH1A1TSHRGAAMAPTSLC7A5

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
WO-2006016892-A2 CESIUM AND STRONTIUM EXTRACTION USING A MIXED EXTRACTANT SOLVENT INCLUDING CROWN ETHER AND CALIXARENE EXTRACTANTS BECHTEL BWXT IDAHO, LLC (US) 2006-02-16 — — WO claimed
WO-2006016892-A2 CESIUM AND STRONTIUM EXTRACTION USING A MIXED EXTRACTANT SOLVENT INCLUDING CROWN ETHER AND CALIXARENE EXTRACTANTS BECHTEL BWXT IDAHO, LLC (US) 2006-02-16 — — WO disclosed
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