SCHEMBL9158352

SCHEMBL9158352

CC(CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 12/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.43
▸ HPN P05981 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.36
▸ GLRA3 O75311 1/20 0.36
▸ GLRB P48167 1/20 0.36
▸ HMGCR P04035 1/20 0.35
▸ PTGS1 P23219 1/20 0.35

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
SCHEMBL9711429 0.82 HPN (0.41) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9680931 0.80 VCAM1 (0.40) VCAM1GPR55HPNMAPTALOX15
SCHEMBL9160161 0.80 VCAM1 (0.57) VCAM1GPR55HPNMAPTALOX15
SCHEMBL9345621 0.79 GAA (0.35) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL10356729 0.79 VCAM1 (0.39) VCAM1GPR55HPNMAPTALOX15
SCHEMBL9682698 0.77 VCAM1 (0.38) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9157478 0.77 TDP1 (0.44) TDP1
SCHEMBL9621875 0.76 VCAM1 (0.43) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL6438215 0.76 VCAM1 (0.48) VCAM1GPR55HPNMAPTALOX15
SCHEMBL29638845 0.76 VCAM1 (0.48) VCAM1GPR55HPNMAPTALOX15

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064860-A Disease therapy G. D. SEARLE & CO. (US) 1991-11-12 — — US claimed
US-4755524-A Novel phenolic thioethers as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1988-07-05 — — US claimed
EP-0547090-B1 PHENOLIC THIOETHERAMIDES AS 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 1995-03-01 — — EP 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
WO-1993010087-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1993-05-27 — — WO disclosed
WO-1992019608-A2 CYCLIC PHENOLIC THIOETHERS G.D. SEARLE & CO. (US) 1992-11-12 — — WO disclosed
WO-1992019591-A1 PROCESS FOR PREPARATION OF ALPHA-ALKOXY ACETIC ACIDS AND THEIR SALTS G.D. SEARLE & CO. (US) 1992-11-12 — — WO disclosed
EP-0512472-A1 Process for preparation of alpha-alkoxy acetic acids and their salts G.D. Searle & Co. (US) 1992-11-11 — — EP disclosed
US-5145992-A Oxyalkylation of an alcohol, reaction with monoaloacetic acid and then with hydrochloic acid G. D. SEARLE & CO. (US) 1992-09-08 — — US disclosed
US-5064860-A Disease therapy G. D. SEARLE & CO. (US) 1991-11-12 — — US disclosed
EP-0434896-A1 Process for preparation of alpha-alkoxy acetic acids and their salts G.D. Searle & Co. (US) 1991-07-03 — — EP disclosed
US-5013864-A From alcohol and haloacetic acid salt G. D. SEARLE & CO. (US) 1991-05-07 — — US disclosed
US-4755524-A Novel phenolic thioethers as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1988-07-05 — — US disclosed
Send feedback