SCHEMBL3288778

SCHEMBL3288778

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 3/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CYP2D6 P10635 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ADRA1A P35348 2/20 0.31
USP2 O75604 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRB3 P13945 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
SCHEMBL7906115 0.83 TSHR (0.41) LMNAMEN1KMT2ATSHRMAPT
SCHEMBL33568 0.81 MEN1 (0.42) LMNAMEN1KMT2ATSHRCYP2D6
SCHEMBL28331743 0.81 LMNA (0.39) LMNAMEN1KMT2ATSHRCYP2D6
SCHEMBL28166421 0.80 LMNA (0.42) LMNAMEN1KMT2ATSHRCYP2D6
SCHEMBL27607065 0.79 MEN1 (0.41) LMNAMEN1KMT2ATSHRCYP2D6
Ammonia Solution, Strong SCHEMBL21219103 0.79 MEN1 (0.41) LMNAMEN1KMT2ATSHRCYP2D6
SCHEMBL7373703 0.79 MEN1 (0.38) LMNAMEN1KMT2ATSHRMAPT
SCHEMBL9515464 0.79 MEN1 (0.38) LMNAMEN1KMT2ATSHRMAPT
SCHEMBL1972396 0.78 MEN1 (0.39) LMNAMEN1KMT2ATSHRMAPT
SCHEMBL4002605 0.78 LMNA (0.43) LMNATSHRCYP2D6MAPTSMN1; SMN2

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 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