SCHEMBL10357727

SCHEMBL10357727

CC(C)(CSCC(=O)O)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53
▸ VCAM1 P19320 13/20 0.51
▸ GLRA3 O75311 1/20 0.40
▸ GLRB P48167 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10685643 0.79 HPN (0.66) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL2799508 0.78 ALDH1A1 (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9327983 0.78 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10761185 0.78 HPN (0.51) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL4397391 0.78 HPN (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9163368 0.78 HPN (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10676509 0.77 HPN (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9345990 0.75 VCAM1 (0.44) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10504021 0.75 HPN (0.59) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10684361 0.74 HPN (0.42) 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 3 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
US-4755524-A Novel phenolic thioethers as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1988-07-05 — — US disclosed
EP-0235575-A1 Novel phenolic thioethers as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1987-09-09 — — EP disclosed
Send feedback