SCHEMBL3285443

SCHEMBL3285443

CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)C(O)C(=O)OCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAD52 P43351 1/20 0.47
FAAH O00519 2/20 0.46
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.45
EPHX1 P07099 1/20 0.43
TSHR P16473 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PRKCA P17252 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL29924501 1.00 NAAA (0.55) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL3284531 0.98 NAAA (0.52) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL1722151 0.90 NAAA (0.62) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL29180902 0.88 NAAA (0.59) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL3288935 0.86 L3MBTL1 (0.36) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL20203611 0.85 NAAA (0.56) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL3285424 0.84 NAAA (0.36) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL27940562 0.83 NAAA (0.55) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL6882232 0.83 NAAA (0.55) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL28342762 0.83 NAAA (0.53) NAAANPSR1MAPTMAPK1L3MBTL1

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 6 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 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
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