SCHEMBL11737998

SCHEMBL11737998

CCCCCCC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ VCAM1 P19320 12/20 0.43
▸ PTGS1 P23219 1/20 0.37
▸ ESR1 P03372 3/20 0.36
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11734636 0.90 HPN (0.47) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11741056 0.84 HPN (0.49) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11742489 0.82 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11664373 0.80 HDAC3 (0.33) MAPTGAAXBP1ATMNPSR1
SCHEMBL11658758 0.77 MAPT (0.41) MAPTALOX15ATML3MBTL1
SCHEMBL8497146 0.76 HPN (0.56) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL28406680 0.74 ESR1 (0.44) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11740318 0.74 VCAM1 (0.39) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11734771 0.72 HPN (0.54) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL206201 0.72 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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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