SCHEMBL4013578

SCHEMBL4013578

CCOC(=O)CC(C)(C)O[C]=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TRPA1 O75762 1/20 0.40
HSD11B1 P28845 1/20 0.36
CYP1A2 P05177 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
SOAT1 P35610 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 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
SCHEMBL4602614 0.85 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10TSHR
SCHEMBL344414 0.82 NAAA (0.43) ALDH1A1TSHR
SCHEMBL6716731 0.79
SCHEMBL10530850 0.79 TSHR (0.36) GAAALDH1A1TSHR
SCHEMBL10618987 0.79 TSHR (0.39) GAAMGAMSIMGAM2HSD17B10
SCHEMBL232993 0.78 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8689790 0.78 TDP1 (0.41) GAAALDH1A1HSD17B10TSHRPKM
SCHEMBL54890 0.78 CYP2D6 (0.31)
SCHEMBL5691458 0.77 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4013581 0.76 GAA (0.43) 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
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
CN-115636747-A Green synthesis method of no-load recyclable Heck reaction 怀化学院 2023-01-24 CN disclosed
US-20140151615-A1 COLORING COMPOSITION, COLORED CURED FILM, COLOR FILTER, MANUFACTURING METHOD OF THE SAME, AND SOLD STATE IMAGING DEVICE FUJIFILM CORPORATION (JP) 2014-06-05 US disclosed
US-7473718-B2 Actinic ray curable composition, and actinic ray curable ink and image forming method by use thereof KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-01-06 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
EP-1773808-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
WO-2006010641-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 WO disclosed
US-20050288386-A1 Actinic ray curable composition, and actinic ray curable ink and image forming method by use thereof KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-12-29 US disclosed
US-20050209365-A1 ink jet printing is disclosed, containing a compound represented by the following formula (a-1) or (a-2) and an alicyclic epoxy compound represented by the following formula (b). An image forming method by use thereof is also disclosed KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-09-22 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 WO disclosed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP disclosed
EP-0021676-B1 3-METHOXY-2-OXOAZETIDINE DERIVATIVES AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1983-09-14 EP disclosed