SCHEMBL10886288

SCHEMBL10886288

CC(C)(C)c1cc(SC(C)(C(=O)O)C(C)(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ SIRT5 Q9NXA8 1/20 0.66
▸ VCAM1 P19320 13/20 0.51
▸ GLRA3 O75311 1/20 0.48
▸ GLRB P48167 1/20 0.48
▸ CA2 P00918 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ TYR P14679 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8703731 0.85 HPN (0.66) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11742580 0.85 HPN (0.66) HPNMAPTALOX15SIRT5VCAM1
Probucol SCHEMBL4150 0.80 HPN (1.00) HPNMAPTALOX15SIRT5VCAM1
Probucol SCHEMBL5143451 0.80 HPN (1.00) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9328009 0.80 HPN (0.58) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9506457 0.78 HPN (0.79) HPNMAPTALOX15SIRT5VCAM1
Probucol SCHEMBL4620631 0.78 ALOX15 (0.95) HPNMAPTALOX15SIRT5VCAM1
Probucol SCHEMBL8344652 0.78 ALOX15 (0.95) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11734771 0.77 HPN (0.54) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL4985953 0.77 HPN (0.84) 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-0116517-B1 ESTER OR ANHYDRIDE OF SUBSTITUTED 4-(HYDROXYPHENYL-THIO)-SUCCINIC ACID CIBA-GEIGY AG (CH) 1986-06-18 — — EP claimed
EP-0116517-B1 ESTER OR ANHYDRIDE OF SUBSTITUTED 4-(HYDROXYPHENYL-THIO)-SUCCINIC ACID CIBA-GEIGY AG (CH) 1986-06-18 — — EP disclosed
EP-0116517-A1 Ester or anhydride of substituted 4-(hydroxyphenyl-thio)-succinic acid CIBA-GEIGY AG (CH) 1984-08-22 — — EP disclosed
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