SCHEMBL9328124

SCHEMBL9328124

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.57
MAPT P10636 3/20 0.57
HPN P05981 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57
CA2 P00918 4/20 0.48
CA1 P00915 2/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
VCAM1 P19320 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
BLM P54132 3/20 0.42

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
SCHEMBL9550805 0.84 MAPT (0.52) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9550804 0.84 MAPT (0.52) ALOX15MAPTHPNSIRT5CA2
SCHEMBL646924 0.82 ALOX15 (0.63) ALOX15MAPTHPNSIRT5CA2
SCHEMBL5692187 0.82 ALOX15 (0.63) ALOX15MAPTHPNSIRT5CA2
SCHEMBL9810876 0.80 ALDH1A1 (0.48) ALOX15MAPTHPNSIRT5ALDH1A1
SCHEMBL9507433 0.80 MAPT (0.61) ALOX15MAPTHPNSIRT5CA2
SCHEMBL10817343 0.80 MAPT (0.61) ALOX15MAPTHPNSIRT5CA2
SCHEMBL8702044 0.78 ALOX15 (0.59) ALOX15MAPTHPNSIRT5CA2
SCHEMBL8309159 0.78 ALOX15 (0.59) ALOX15MAPTHPNSIRT5CA2
SCHEMBL8493361 0.77 ALOX15 (0.57) ALOX15MAPTHPNSIRT5CA2

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 5 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 disclosed
EP-0293900-A2 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 EP disclosed
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
EP-0235575-A1 Novel phenolic thioethers as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1987-09-09 EP disclosed