SCHEMBL6671849

SCHEMBL6671849

CCCOC(=O)CC(C)(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.44
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 2/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ALDH1A1 P00352 6/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
TSHR P16473 3/20 0.33
CHRM1 P11229 2/20 0.33
HMGCR P04035 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ESR1 P03372 1/20 0.32
SLC6A2 P23975 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
SCHEMBL4897036 0.89 NAAA (0.46) TET2HCAR2NAAADGKAALDH1A1
SCHEMBL3289705 0.84 NAAA (0.35) HCAR2LMNANAAADGKAALDH1A1
SCHEMBL6667305 0.83 TET2 (0.47) TET2LMNAALDH1A1TSHRCHRM1
SCHEMBL2872937 0.82 ALDH1A1 (0.44) HCAR2LMNANAAADGKAALDH1A1
SCHEMBL11444130 0.82 HCAR2 (0.39) HCAR2LMNANAAADGKAALDH1A1
SCHEMBL31058603 0.81 NAAA (0.39) HCAR2LMNANAAADGKAALDH1A1
SCHEMBL2582850 0.81 TET2 (0.41) TET2HCAR2LMNAALDH1A1TSHR
SCHEMBL5011564 0.79 RAB9A (0.44) HCAR2LMNANAAADGKAALDH1A1
SCHEMBL15876208 0.79 NAAA (0.40) HCAR2LMNANAAADGKAALDH1A1
SCHEMBL2861746 0.77 ALDH1A1 (0.56) HCAR2LMNAALDH1A1TSHRCHRM1

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