SCHEMBL3289705

SCHEMBL3289705

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HCAR2 Q8TDS4 1/20 0.34
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 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
STING1 Q86WV6 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
USP2 O75604 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
SCHEMBL12559133 0.87 NAAA (0.53) NAAADGKAALDH1A1HCAR2TSHR
SCHEMBL3281750 0.85 NAAA (0.56) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL6671849 0.84 TET2 (0.44) NAAADGKAALDH1A1HCAR2RAB9A
SCHEMBL6671846 0.84 HMGCR (0.43) ALDH1A1HCAR2RAB9ALMNACHRM1
SCHEMBL398062 0.82 NAAA (0.36) NAAADGKAALDH1A1HCAR2RAB9A
SCHEMBL2251744 0.81 HCAR2 (0.38) ALDH1A1HCAR2RAB9ALMNAESR1
SCHEMBL31058603 0.81 NAAA (0.39) NAAADGKAALDH1A1HCAR2RAB9A
Ammonia Solution, Strong SCHEMBL21219088 0.80 NAAA (0.35) NAAADGKAALDH1A1HCAR2RAB9A
SCHEMBL27607203 0.80 NAAA (0.35) NAAADGKAALDH1A1HCAR2RAB9A
SCHEMBL3280616 0.79 GAA (0.46) ALDH1A1LMNASTING1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100172851-A1 Hydroxy-oligocarboxylic esters: effects on nerve and use for cutaneous and mucocutaneous organs or sites YU RUEY J 2010-07-08 US disclosed
US-7709014-B2 Hydroxy-oligocarboxylic esters: effects on nerve and use for cutaneous and mucocutaneous organs or sites YU RUEY J 2010-05-04 US disclosed
EP-1937246-A2 HYDROXY-OLIGOCARBOXYLIC ESTERS: EFFECTS ON NERVE AND USE FOR CUTANEOUS AND MUCOCUTANEOUS ORGANS OR SITES Yu, Ruey J., Dr. (US) 2008-07-02 EP disclosed
WO-2007047486-A2 HYDROXY-OLIGOCARBOXYLIC ESTERS: EFFECTS ON NERVE AND USE FOR CUTANEOUS AND MUCOCUTANEOUS ORGANS OR SITES YU RUEY J (US) 2007-04-26 WO disclosed
US-20070093551-A1 Hydroxy-oligocarboxylic esters: effects on nerve and use for cutaneous and mucocutaneous organs or sites YU RUEY J 2007-04-26 US disclosed
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