SCHEMBL9328163

SCHEMBL9328163

CC(CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

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 12/20 0.44
▸ GLRA3 O75311 1/20 0.42
▸ GLRB P48167 1/20 0.42
▸ CA2 P00918 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GABBR2 O75899 1/20 0.39
▸ GABBR1 Q9UBS5 1/20 0.39

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
SCHEMBL10685089 0.83 ALOX15 (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10677513 0.83 VCAM1 (0.42) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11603987 0.82 ALOX15 (0.55) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9707067 0.79 KDM4E (0.42) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10769689 0.79 HMGCR (0.54) MAPTALOX15GLRA3GLRBCA2
SCHEMBL1278385 0.79 HMGCR (0.54) MAPTALOX15GLRA3GLRBCA2
SCHEMBL9350056 0.79 VCAM1 (0.43) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9735154 0.79 VCAM1 (0.48) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9621875 0.79 VCAM1 (0.43) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10356707 0.78 VCAM1 (0.44) 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 2 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
EP-0079855-A1 Alkylated hydroxyphenylthioalcanoic esters CIBA-GEIGY AG (CH) 1983-05-25 — — EP disclosed
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