SCHEMBL5718397

SCHEMBL5718397

CCC(C)OC(C(=O)O)C(OC(C)CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
TP53 P04637 1/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL249763 0.80 MAPT (0.35) TP53SLC1A3SLC1A2SLC1A1CHRM1
SCHEMBL5718497 0.80 RNPEP (0.46) MMP1MMP2MMP3MMP9MMP13
Acetic Acid SCHEMBL20657787 0.79 FFAR3 (0.39) CHRM1TDP1MAPK1ALDH1A1TSHR
SCHEMBL2710724 0.79 PDE4A (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4672957 0.78 LCK (0.34) TP53SLC1A3SLC1A2SLC1A1CHRM1
SCHEMBL3999725 0.78 CA2 (0.47) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL15174708 0.75 LMNA (0.35) TP53CA2MAPK1MAPT
SCHEMBL29124676 0.74 MGAM (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1196880 0.73 TP53 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL607461 0.73 TP53 (0.42) MMP1MMP2MMP3MMP9MMP13

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-1142963-B1 Use of tartaric acid diesters as biodegradable surfactants AIR PROD & CHEM (US) 2006-03-15 EP disclosed
US-6585814-B2 Hydrocarbon solvent free, aqueous coatings, inks, adhesives and agricultural agents AIR PRODUCTS AND CHEMICALS, INC. 2003-07-01 US disclosed
US-6544591-B2 Applying a coating of a water-based formulation which is free of hydrocarbon solvent to a surface to partially or fully coat the surface and drying the coating, the formulation containing tartaric acid diester AIR PRODUCTS AND CHEMICALS, INC. 2003-04-08 US disclosed
US-20030033957-A1 Tartaric acid diesters as biodegradable surfactants SLONE CAROLINE SASSANO (US) 2003-02-20 US disclosed
US-20030008943-A1 Tartaric acid diesters as biodegradable surfactants SLONE CAROLINE SASSANO (US) 2003-01-09 US disclosed
US-6423376-B1 COATING A WATER BASED COMPOSITE FREE OF HYDROCARBON SOLVENT TO SURFACE, REDUCING THE SURFACE TENSION AIR PRODUCTS AND CHEMICALS, INC. 2002-07-23 US disclosed
EP-1142963-A1 Tartaric acid diesters as biogradable surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-10 EP disclosed