SCHEMBL9305101

SCHEMBL9305101

COC(=O)COC(=O)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
CA14 Q9ULX7 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TET2 Q6N021 1/20 0.32

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
L-Lactic Acid SCHEMBL9710131 0.85 TSHR (0.31) TSHRALDH1A1
SCHEMBL2750378 0.83 TSHR (0.43) TSHRMGAMGAASIMGAM2
SCHEMBL9313288 0.82 TSHR (0.39) TSHRMGAMGAASIMGAM2
SCHEMBL925174 0.81 TP53 (0.33) TP53
SCHEMBL10015706 0.81 DGKA (0.35) L3MBTL1MEN1KMT2ATP53
Tetramethylammonium Ion SCHEMBL9710136 0.80 TSHR (0.30) TSHRALDH1A1
SCHEMBL15441341 0.79 TP53 (0.32) TP53
SCHEMBL16981759 0.79 TSHR (0.40) TSHRMGAMGAASIMGAM2
SCHEMBL9313924 0.79 LMNA (0.41) TSHRALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL22170008 0.79 TSHR (0.40) TSHRMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874407-B1 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 GMB (DE) 2015-09-09 EP disclosed
EP-1877141-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GM (DE) 2013-06-12 EP disclosed
US-5371001-A Transesterification in the presence of carboxy-esterases or carboxyamidases E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-12-06 US disclosed
US-5326887-A Reacting ester of alpha hydroxy acid oligomer over fixed bed catalyst E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-05 US disclosed
US-5254718-A Using enzyme catalyst; simplified separation, purification E. I. DU PONT DE NEMOURS & COMPANY (US) 1993-10-19 US disclosed
WO-1992015572-A1 PROCESS FOR THE PREPARATION OF 1,4-DIOXANE-2,5-DIONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed
WO-1992015547-A1 ESTERS OF UNSYMMETRICALLY 2-SUBSTITUTED GLYCOLIC ACID DIMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-17 WO disclosed