SCHEMBL6670982

SCHEMBL6670982

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
HCAR2 Q8TDS4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GPR84 Q9NQS5 4/20 0.35
LMNA P02545 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6666823 0.91 TDP1 (0.38) TDP1HCAR2SMN1; SMN2GPR84LMNA
SCHEMBL29924533 0.88 GPR84 (0.43) TDP1HCAR2GPR84
SCHEMBL6666828 0.87 HCAR2 (0.35) TDP1HCAR2LMNAALDH1A1
SCHEMBL28856632 0.86 GPR84 (0.46) HCAR2GPR84
SCHEMBL6670670 0.85 TDP1 (0.50) TDP1SMN1; SMN2GPR84LMNASLC22A6
SCHEMBL9779610 0.81 CHRM1 (0.44) TDP1SMN1; SMN2LMNACYP2C19GAA
SCHEMBL19767011 0.79 TDP1 (0.48) TDP1HCAR2SMN1; SMN2GPR84LMNA
SCHEMBL3500864 0.79 TDP1 (0.52) TDP1SMN1; SMN2LMNASLC22A6
SCHEMBL2859729 0.78 TSHR (0.46) TDP1HCAR2GPR84LMNAALDH1A1
SCHEMBL8636453 0.77 HCAR2 (0.43) TDP1HCAR2LMNAALDH1A1

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