SCHEMBL6671846

SCHEMBL6671846

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
HCAR2 Q8TDS4 1/20 0.38
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4897030 0.89 ALDH1A1 (0.45) HMGCRCHRM1TBXA2RADRA1AHCAR2
SCHEMBL3289705 0.84 NAAA (0.35) CHRM1HCAR2TSHRLMNAALDH1A1
SCHEMBL6667303 0.83 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL2251744 0.81 HCAR2 (0.38) CHRM1HCAR2TSHRLMNAALDH1A1
SCHEMBL23581996 0.77 TSHR (0.48) HMGCRCHRM1TBXA2RADRA1AHCAR2
SCHEMBL27984406 0.76 HCAR2 (0.40) CHRM1HCAR2TSHRLMNAALDH1A1
SCHEMBL4672467 0.76 HCAR2 (0.40) CHRM1HCAR2TSHRLMNAALDH1A1
SCHEMBL28688019 0.76 HCAR2 (0.38) HMGCRCHRM1TBXA2RADRA1AHCAR2
SCHEMBL2872935 0.76 ALDH1A1 (0.39) HMGCRCHRM1TBXA2RADRA1AHCAR2
SCHEMBL19469695 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2D6

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