SCHEMBL9680931

SCHEMBL9680931

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.40
▸ HPN P05981 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ GLRA3 O75311 1/20 0.34
▸ GLRB P48167 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ HMGCR P04035 1/20 0.34
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL10356729 0.84 VCAM1 (0.39) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9682698 0.82 VCAM1 (0.38) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9158352 0.80 VCAM1 (0.46) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9711429 0.80 HPN (0.41) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9621875 0.77 VCAM1 (0.43) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9680927 0.76 HPN (0.41) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9492905 0.74 ALOX15 (0.47) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9168126 0.74 ALOX15 (0.50) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL10682020 0.74 HPN (0.44) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL10356703 0.73 HPN (0.42) VCAM1HPNMAPTALOX15SIRT5

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
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
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