SCHEMBL7199767

SCHEMBL7199767

CCOC(=O)CC(C)(OC)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TRPA1 O75762 1/20 0.44
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP4F2 P78329 1/20 0.33

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
SCHEMBL10595181 0.82 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16573007 0.82 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5691458 0.82 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8158517 0.79 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Ethyl Propionate SCHEMBL28715985 0.79 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1285433 0.78 CYP1A2 (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL915738 0.78 TSHR (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23007 0.78 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10482256 0.78 TSHR (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL798062 0.78 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159358-B Preparation method of oxarogeli intermediate 上海朴颐化学科技有限公司 2023-08-18 CN disclosed
CN-112159358-A Preparation method of oxalagogri intermediate 上海朴颐化学科技有限公司 2021-01-01 CN disclosed
US-6586357-B1 Stereospecific catalysts; enantioselective reduction; transition metal complexes CHEMI S.P.A. (IT) 2003-07-01 US disclosed
US-6297387-B1 AND THEIR USE AS CHIRAL CATALYSTS IN STEREOCONTROLLED REACTIONS, SUCH AS DIASTEREO- AND ENANTIOSELECTIVE REDUCTION REACTIONS, ITALFARMACO SUD S.P.A. (IT) 2001-10-02 US disclosed
US-6133191-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 2000-10-17 US disclosed
US-6077958-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 2000-06-20 US disclosed
EP-0770085-B1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS CHEMI SPA (IT) 1999-09-22 EP disclosed
US-5907045-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 1999-05-25 US disclosed
EP-0770085-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.p.A. (IT) 1997-05-02 EP disclosed
WO-1996001831-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.P.A. (IT) 1996-01-25 WO disclosed
EP-0553673-A1 N,N-bis-(2-chloroethyl)phosphoric acid diamidates as cytostatics Tietze, Lutz F., Prof. Dr. (DE) 1993-08-04 EP disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed
US-4810713-A Arylalkyl-heterocyclic amines, n-substituted by aryloxyalkyl groups used in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
EP-0235463-A2 N-substituted-arylalkyl and arylalkylene piperidines as cardiovascular antihistaminic and antisecretory agents A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1987-09-09 EP disclosed