SCHEMBL9680927

SCHEMBL9680927

C[C@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C)OC(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ VCAM1 P19320 14/20 0.38
▸ GLRA3 O75311 1/20 0.36
▸ GLRB P48167 1/20 0.36
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL29638845 0.77 VCAM1 (0.48) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL6438215 0.77 VCAM1 (0.48) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9680931 0.76 VCAM1 (0.40) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9328104 0.75 HPN (0.52) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8823307 0.75 HPN (0.52) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9163349 0.75 HPN (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10963673 0.74 HPN (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9852829 0.72 HPN (0.55) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9769341 0.72 HPN (0.55) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9168124 0.72 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 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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