SCHEMBL6671680

SCHEMBL6671680

CCCOC(=O)C(O)C(C)(C)CO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
KCNH2 Q12809 1/20 0.41
HCAR2 Q8TDS4 1/20 0.34
VNN1 O95497 3/20 0.34
ALDH1A1 P00352 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 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
SCHEMBL6671682 1.00 PTGS1 (0.41) PTGS1KCNH2HCAR2VNN1ALDH1A1
SCHEMBL6670659 0.83 PTGS1 (0.43) PTGS1KCNH2VNN1ALDH1A1LMNA
SCHEMBL5679836 0.83 PTGS1 (0.43) PTGS1KCNH2VNN1ALDH1A1LMNA
SCHEMBL2990241 0.79 PTGS1 (0.38) PTGS1KCNH2VNN1LMNA
SCHEMBL6669359 0.77 PTGS1 (0.48) PTGS1KCNH2VNN1
SCHEMBL6669356 0.77 PTGS1 (0.48) PTGS1KCNH2VNN1
SCHEMBL9446851 0.75 HCAR2 (0.36) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL8389060 0.74 PTGS1 (0.55) PTGS1KCNH2VNN1ALDH1A1
SCHEMBL8389061 0.74 PTGS1 (0.55) PTGS1KCNH2VNN1ALDH1A1
SCHEMBL15951501 0.73 PTGS1 (0.42) PTGS1KCNH2VNN1ALDH1A1LMNA

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