SCHEMBL9701568

SCHEMBL9701568

CCC(CCO)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ HPN P05981 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45
▸ VCAM1 P19320 8/20 0.42
▸ CA2 P00918 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ GSR P00390 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PTGS1 P23219 3/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ GABBR2 O75899 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL9621562 0.84 ALOX15 (0.46) MAPTALOX15HPNSIRT5VCAM1
SCHEMBL8834137 0.81 MAPT (0.57) MAPTALOX15HPNSIRT5VCAM1
SCHEMBL646924 0.79 ALOX15 (0.63) MAPTALOX15HPNSIRT5VCAM1
SCHEMBL9168126 0.78 ALOX15 (0.50) MAPTALOX15HPNSIRT5VCAM1
SCHEMBL9701236 0.78 ALOX15 (0.44) MAPTALOX15HPNSIRT5VCAM1
SCHEMBL9701565 0.78 HPN (0.44) MAPTALOX15HPNSIRT5VCAM1
SCHEMBL8834596 0.78 MAPT (0.53) MAPTALOX15HPNSIRT5VCAM1
SCHEMBL9154935 0.77 ALOX15 (0.57) MAPTALOX15HPNSIRT5VCAM1
SCHEMBL8834331 0.76 ALOX15 (0.52) MAPTALOX15HPNSIRT5VCAM1
SCHEMBL9492905 0.76 ALOX15 (0.47) MAPTALOX15HPNSIRT5VCAM1

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
WO-1992004026-A1 USE OF 4-HYDROXYPHENYL-THIOETHERS FOR STIMULATING SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1992-03-19 — — WO disclosed
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