SCHEMBL4013581

SCHEMBL4013581

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 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 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 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
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 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
SCHEMBL4602673 0.85 ALDH1A1 (0.37) ALDH1A1TDP1LMNATSHR
SCHEMBL8744925 0.79 TSHR (0.40) GAAALDH1A1TDP1NPSR1TSHR
SCHEMBL15537216 0.79 TSHR (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6351731 0.78 TDP1 (0.42) CA12CA2TDP1
SCHEMBL28412601 0.77 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5691458 0.77 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4013578 0.76 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10904454 0.75 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11319403 0.75 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11829380 0.74 GAA (0.50) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601799-B Fused imidazole derivatives as Il-17 modulators UCB生物制药有限责任公司 2023-06-09 CN 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
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
EP-1319660-A1 Optically active azetidincarboxamide-coordinated transition metal complexes as catalysts in asymmetric reduction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-18 EP disclosed
US-5463075-A Process for preparing 1,2-pyrazolidine-4-yl-disulfide compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-31 US disclosed
EP-0641783-A1 Process for preparing 1,2-pyrazolidine-4-yl-disulfide compound WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1995-03-08 EP disclosed
US-5051502-A Process for forming antibiotics UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-09-24 US disclosed
EP-0046712-A1 Fluorinated diaminobutane derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP disclosed