SCHEMBL9484852

SCHEMBL9484852

CCC(O)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPN P05981 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50
▸ VCAM1 P19320 5/20 0.43
▸ CA2 P00918 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTGS1 P23219 4/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38

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 0.91 ALOX15 (0.55) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9384054 0.85 ALOX15 (0.49) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL10685089 0.83 ALOX15 (0.53) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL10356707 0.80 VCAM1 (0.44) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL11603068 0.79 ALOX15 (0.42) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL11605148 0.79 ALOX15 (0.49) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9466902 0.79 ALOX15 (0.49) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9507433 0.78 MAPT (0.61) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9735154 0.78 VCAM1 (0.48) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9350056 0.78 VCAM1 (0.43) ALOX15MAPTHPNSIRT5VCAM1

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-0547090-A1 PHENOLIC THIOETHERAMIDES AS 5-LIPOXYGENASE INHIBITORS. SEARLE & CO (US) 1993-06-23 — — EP disclosed
WO-1992004324-A1 PHENOLIC THIOETHERAMIDES AS 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1992-03-19 — — WO disclosed
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