SCHEMBL9168126

SCHEMBL9168126

CC(O)CCSc1cc(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
▸ HPN P05981 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50
▸ CA2 P00918 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ VCAM1 P19320 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTGS1 P23219 4/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ GABBR2 O75899 1/20 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
SCHEMBL9492905 0.87 ALOX15 (0.47) ALOX15HPNMAPTSIRT5CA2
SCHEMBL646924 0.84 ALOX15 (0.63) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9701565 0.83 HPN (0.44) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9701236 0.83 ALOX15 (0.44) ALOX15HPNMAPTSIRT5CA2
SCHEMBL10685089 0.83 ALOX15 (0.53) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9621562 0.83 ALOX15 (0.46) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9621875 0.81 VCAM1 (0.43) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9494838 0.81 MAPT (0.47) ALOX15HPNMAPTSIRT5CA2
SCHEMBL8702044 0.80 ALOX15 (0.59) ALOX15HPNMAPTSIRT5CA2
SCHEMBL9701573 0.80 HPN (0.44) ALOX15HPNMAPTSIRT5CA2

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
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
US-5229421-A Antiallergens, antiinflammatory agents G. D. SEARLE & CO. (US) 1993-07-20 — — US 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
US-5047593-A Antiinflammatory And Antiallergy Agents G. D. SEARLE & CO. (US) 1991-09-10 — — US disclosed
US-5013864-A From alcohol and haloacetic acid salt G. D. SEARLE & CO. (US) 1991-05-07 — — US disclosed
EP-0218782-B1 LIPOXYGENASE-INHIBITING COMPOSITION AND HYDROXYPHENYLTHIOALKYLCARBONYL COMPOUNDS G.D. Searle & Co. (US) 1990-05-16 — — EP disclosed
US-4857558-A ANTIINFLAMMATORY AGENTS AND-OR ANTIALLERGENS G. D. SEARLE & CO. (US) 1989-08-15 — — US disclosed
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