SCHEMBL3282741

SCHEMBL3282741

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CPT2 P23786 1/20 0.37
ACLY P53396 1/20 0.37
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FOLH1 Q04609 2/20 0.34
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
PGD P52209 1/20 0.31

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
SCHEMBL11196284 0.80 TDP1 (0.42) SLC22A6TDP1SMN1; SMN2CPT2ACLY
SCHEMBL29112587 0.78 TDP1 (0.40) SLC22A6TDP1SMN1; SMN2CPT2ACLY
SCHEMBL321093 0.76 TDP1 (0.39) SLC22A6TDP1SMN1; SMN2CPT2ACLY
SCHEMBL1533821 0.76 TDP1 (0.39) SLC22A6TDP1SMN1; SMN2CPT2ACLY
SCHEMBL4313364 0.76 TDP1 (0.39) SLC22A6TDP1SMN1; SMN2CPT2ACLY
SCHEMBL5692721 0.76 TDP1 (0.39) SLC22A6TDP1SMN1; SMN2CPT2ACLY
SCHEMBL14558024 0.75 TDP1 (0.42) SLC22A6TDP1SMN1; SMN2CPT2ACLY
SCHEMBL723184 0.75 ACLY (0.57) SLC22A6TDP1SMN1; SMN2CPT2ACLY
SCHEMBL28481021 0.75 TDP1 (0.37) SLC22A6TDP1SMN1; SMN2CPT2ACLY
SCHEMBL3712481 0.73 TDP1 (0.46) SLC22A6TDP1SMN1; SMN2CPT2ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999378-B Dermatological kit comprising a composition based on hibiscus flower and brischt fruit oil 医疗品牌研究有限公司 2021-10-26 CN claimed
CN-101330911-A Hydroxy-polycarboxylic acid esters: action on nerves and use on skin and mucocutaneous organs or sites SCOTT EUGENE J VAN (US) 2008-12-24 CN claimed
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
CN-101330911-A Hydroxy-polycarboxylic acid esters: action on nerves and use on skin and mucocutaneous organs or sites SCOTT EUGENE J VAN (US) 2008-12-24 CN 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-0290186-A2 Use of oral compositions comprising anti-calculus agents PURDUE RESEARCH FOUNDATION (US) 1988-11-09 EP disclosed