SCHEMBL5718445

SCHEMBL5718445

CCC(C)COC(C(=O)O)C(OCC(C)CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
FFAR1 O14842 1/20 0.36
SLC1A3 P43003 3/20 0.32
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 3/20 0.32
TP53 P04637 1/20 0.32
PGD P52209 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL19974352 0.82 MAPT (0.42) MAPTFFAR1SLC1A3SLC1A2SLC1A1
SCHEMBL5718402 0.78 MMP1 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18039277 0.78 MMP1 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28281334 0.76 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL17103150 0.72 LMNA (0.32) MAPT
SCHEMBL1160265 0.72 THRB (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1196063 0.72 THRB (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL387178 0.72 THRB (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6861822 0.71 TSHR (0.35) MAPTTDP1ALDH1A1
SCHEMBL2228690 0.71

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