SCHEMBL9328009

SCHEMBL9328009

CCC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ SIRT5 Q9NXA8 1/20 0.58
▸ VCAM1 P19320 13/20 0.50
▸ LMNA P02545 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ GLRA3 O75311 1/20 0.43
▸ GLRB P48167 1/20 0.43
▸ CA2 P00918 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11734771 0.88 HPN (0.54) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11742489 0.84 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11741056 0.83 HPN (0.49) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10886288 0.80 HPN (0.66) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8703731 0.80 HPN (0.66) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11742580 0.80 HPN (0.66) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9326955 0.79 HPN (0.51) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL646775 0.78 ALOX15 (0.68) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL647467 0.78 ALOX15 (0.68) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9158348 0.75 VCAM1 (0.55) HPNMAPTALOX15SIRT5VCAM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293900-B1 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase SEARLE & CO (US) 1994-03-16 — — EP claimed
US-4012523-A Hypolipidemic 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-(thio or sulfonyl) alkanoic acids and derivatives THE DOW CHEMICAL COMPANY (US) 1977-03-15 — — US claimed
US-4012523-A Hypolipidemic 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-(thio or sulfonyl) alkanoic acids and derivatives THE DOW CHEMICAL COMPANY (US) 1977-03-15 — — US disclosed
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