SCHEMBL9701565

SCHEMBL9701565

CCC(CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ VCAM1 P19320 5/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA1 P00915 2/20 0.37
▸ PTGS2 P35354 5/20 0.36
▸ PTGS1 P23219 4/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CPT1B Q92523 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL9492905 0.84 ALOX15 (0.47) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9168126 0.83 ALOX15 (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9701236 0.83 ALOX15 (0.44) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9701568 0.78 MAPT (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL646924 0.78 ALOX15 (0.63) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9701573 0.77 HPN (0.44) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9621562 0.77 ALOX15 (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9154935 0.76 ALOX15 (0.57) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9621875 0.75 VCAM1 (0.43) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9494838 0.75 MAPT (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992004026-A1 USE OF 4-HYDROXYPHENYL-THIOETHERS FOR STIMULATING SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1992-03-19 — — WO disclosed
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