SCHEMBL6668476

SCHEMBL6668476

COC(=O)C(O)C(CC(=O)O)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
GABRR1 P24046 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.32
LTA4H P09960 1/20 0.32
PGD P52209 1/20 0.32
GPR84 Q9NQS5 2/20 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
SCHEMBL3500864 0.89 TDP1 (0.52) TDP1SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL13595128 0.86 TDP1 (0.50) TDP1SLC22A6SMN1; SMN2KMT2AMAPT
SCHEMBL9794637 0.86 TDP1 (0.50) TDP1SLC22A6SMN1; SMN2KMT2AMAPT
SCHEMBL3283018 0.83 TSHR (0.39) SMN1; SMN2KMT2AMAPT
SCHEMBL1177115 0.80 TDP1 (0.44) TDP1SLC22A6SMN1; SMN2KMT2AHTT
SCHEMBL1176819 0.80 TDP1 (0.44) TDP1SLC22A6SMN1; SMN2KMT2AHTT
SCHEMBL1176824 0.80 TDP1 (0.44) TDP1SLC22A6SMN1; SMN2KMT2AHTT
SCHEMBL1300984 0.78 SLC22A6 (0.39) TDP1SLC22A6GABRR1LMNASMN1; SMN2
SCHEMBL19035870 0.78 TDP1 (0.42) TDP1SLC22A6SMN1; SMN2KMT2AHTT
SCHEMBL4891303 0.77 CA1 (0.42) SMN1; SMN2LTA4H

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