SCHEMBL4716166

SCHEMBL4716166

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
STING1 Q86WV6 1/20 0.43
PKM P14618 3/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
TRPA1 O75762 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3280616 0.88 GAA (0.46) MMP8GAAMGAMSIMGAM2
SCHEMBL3280983 0.83 TSHR (0.42) GAAMGAMSIMGAM2LMNA
SCHEMBL15412844 0.83 TSHR (0.42) GAAMGAMSIMGAM2LMNA
SCHEMBL3190230 0.80 STING1 (0.40) MMP8GAAMGAMSIMGAM2
SCHEMBL6667303 0.79 HMGCR (0.46) MMP8STING1PKMLMNAKDM4E
SCHEMBL14634208 0.78 GAA (0.38) MMP8GAAMGAMSIMGAM2
SCHEMBL16580102 0.78 GAA (0.50) GAAMGAMSIMGAM2LMNA
SCHEMBL12386545 0.76 CYP4F2 (0.44) MMP8GAAMGAMSIMGAM2
SCHEMBL2242736 0.76 CYP4F2 (0.44) MMP8GAAMGAMSIMGAM2
SCHEMBL28312990 0.76 CYP4F2 (0.50) MMP8GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45128-E1 Cephalotaxane derivatives and their processes of preparation and purification IVAX International GmbH (CH) 2014-09-09 US disclosed
EP-1924327-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-05-28 EP disclosed
EP-1877141-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-16 EP disclosed
EP-1874407-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-09 EP disclosed
WO-2006108681-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108680-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST PROTOZOA AND HELMINTHES BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108679-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108682-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed