SCHEMBL6671589

SCHEMBL6671589

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
PGD P52209 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.32
FFAR1 O14842 3/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FFAR3 O14843 1/20 0.31
GPR84 Q9NQS5 4/20 0.31
EGLN1 Q9GZT9 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
Ethylene Glycol SCHEMBL3746397 0.94 TDP1 (0.46) TDP1SMN1; SMN2MMP1MMP2MMP3
1,4-Butanediol SCHEMBL3733202 0.91 TDP1 (0.43) TDP1MMP1MMP2MMP3MMP9
Propylene Glycol SCHEMBL3731773 0.89 TDP1 (0.42) TDP1SMN1; SMN2MMP1MMP2MMP3
Di(Hydroxyethyl)Ether SCHEMBL3728903 0.88 TDP1 (0.41) TDP1ALDH1A1
SCHEMBL6670987 0.84 TDP1 (0.48) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL11382908 0.83 TDP1 (0.36) TDP1MMP1MMP2MMP3MMP9
SCHEMBL6668706 0.82 MGAM (0.40) TDP1MMP1MMP2MMP3MMP9
SCHEMBL3731295 0.82 TDP1 (0.35) TDP1PGD
Ethylene Glycol SCHEMBL3730786 0.80 TDP1 (0.43) TDP1MMP1MMP2MMP3MMP9
SCHEMBL27619678 0.80 TDP1 (0.43) TDP1MMP9MMP13GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831767-B1 ALPHA HYDROXYACID ESTERS FOR SKIN AGING YU RUEY J (US) 2004-09-22 EP disclosed
EP-0831767-A4 ALPHA HYDROXYACID ESTERS FOR SKIN AGING YU RUEY J (US) 2000-05-17 EP disclosed
EP-0831767-A1 ALPHA HYDROXYACID ESTERS FOR SKIN AGING Yu, Ruey J., Dr. (US) 1998-04-01 EP disclosed
US-5686489-A TOPICALLY APPLIED TO INDUCE GLYCOSAMINOGLYCAN, PROTEOGLYCAN, COLLAGEN AND ELASTIN BIOSYNTHESIS; WRINKLE RESISTANCE TRISTRATA TECHNOLOGY, INC. (US) 1997-11-11 US disclosed
WO-1996040047-A1 ALPHA HYDROXYACID ESTERS FOR SKIN AGING YU RUEY J (US) 1996-12-19 WO disclosed