SCHEMBL9158690

SCHEMBL9158690

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

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 11/20 0.43
▸ GLRA3 O75311 1/20 0.39
▸ GLRB P48167 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GABBR2 O75899 1/20 0.36
▸ GABBR1 Q9UBS5 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10684361 0.79 HPN (0.42) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9163349 0.78 HPN (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL29638845 0.78 VCAM1 (0.48) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL6438215 0.78 VCAM1 (0.48) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9330356 0.78 HPN (0.47) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL4397391 0.77 HPN (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9847649 0.76 VCAM1 (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8823307 0.75 HPN (0.52) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9328104 0.75 HPN (0.52) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9168124 0.75 HPN (0.55) 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 11 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 claimed
US-4755524-A Novel phenolic thioethers as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1988-07-05 — — US claimed
EP-0235575-A1 Novel phenolic thioethers as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1987-09-09 — — EP claimed
EP-0547090-B1 PHENOLIC THIOETHERAMIDES AS 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 1995-03-01 — — EP disclosed
US-5342838-A Antiallergens, emzyme inhibitors, antihistamine, skin disorder G. D. SEARLE & CO. (US) 1994-08-30 — — US disclosed
US-5326907-A 2-aminoethanesulfonic acid derivatives of 3,5-disubstituted-4-hydroxyphenolic thioethers G. D. SEARLE & CO. (US) 1994-07-05 — — US disclosed
US-5298514-A Antiinflammatory agents or antiallergens G. D. SEARLE & CO. (US) 1994-03-29 — — US disclosed
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
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
Send feedback