SCHEMBL10677513

SCHEMBL10677513

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 13/20 0.42
▸ HPN P05981 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ GLRA3 O75311 1/20 0.36
▸ GLRB P48167 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GABBR2 O75899 1/20 0.34
▸ GABBR1 Q9UBS5 1/20 0.34

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 0.84 ALOX15 (0.55) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9328163 0.83 HPN (0.47) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL10682020 0.82 HPN (0.44) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL10731753 0.81 MAPT (0.42) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9350056 0.80 VCAM1 (0.43) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL10356707 0.80 VCAM1 (0.44) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9735154 0.77 VCAM1 (0.48) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9484852 0.77 ALOX15 (0.50) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL10761185 0.77 HPN (0.51) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL10685089 0.77 ALOX15 (0.53) VCAM1HPNMAPTALOX15SIRT5

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
US-4755524-A Novel phenolic thioethers as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1988-07-05 — — US disclosed
US-4711903-A ANTIINFLAMMATORY, ANTIALLERGY AGENTS G. D. SEARLE & CO. (US) 1987-12-08 — — US disclosed
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