SCHEMBL10356707

SCHEMBL10356707

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 11/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPN P05981 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GLRA3 O75311 1/20 0.36
▸ GLRB P48167 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 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
SCHEMBL11603987 0.88 ALOX15 (0.55) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL10356706 0.82 VCAM1 (0.44) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9350056 0.81 VCAM1 (0.43) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9484852 0.80 ALOX15 (0.50) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL10677513 0.80 VCAM1 (0.42) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9384054 0.79 ALOX15 (0.49) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9735154 0.78 VCAM1 (0.48) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9328163 0.78 HPN (0.47) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL10685089 0.77 ALOX15 (0.53) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9119059 0.73 MAPT (0.53) VCAM1MAPTHPNALOX15SIRT5

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-0235575-B1 NOVEL PHENOLIC THIOETHERS AS INHIBITORS OF 5-LIPOXYGENASE G.D. Searle & Co. (US) 1990-09-19 — — EP disclosed
EP-0235575-A1 Novel phenolic thioethers as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1987-09-09 — — EP disclosed
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