SCHEMBL11734636

SCHEMBL11734636

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ VCAM1 P19320 13/20 0.46
▸ PTGS1 P23219 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR55 Q9Y2T6 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
SCHEMBL11737998 0.90 HPN (0.43) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11734771 0.82 HPN (0.54) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11664373 0.76 HDAC3 (0.33) MAPTGAA
SCHEMBL11661830 0.74 CNR2 (0.35) MAPTLMNA
SCHEMBL11665590 0.74 GABRA1 (0.34) MAPTLMNA
SCHEMBL647768 0.74 ALOX15 (0.63) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL648287 0.74 ALOX15 (0.63) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11736394 0.73 HPN (0.54) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11742489 0.73 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9328009 0.73 HPN (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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