SCHEMBL3835899

SCHEMBL3835899

CCCCCCCCCCCCCCCCCC(=O)OC(C)OC(=O)CCCCC(=O)OC(C)OC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.77
MAPT P10636 3/20 0.66
MAPK1 P28482 3/20 0.66
ALDH1A1 P00352 1/20 0.61
DGKA P23743 1/20 0.57
PRKCA P17252 1/20 0.56
PRKCE Q02156 1/20 0.56
PRKCQ Q04759 1/20 0.56
PRKCD Q05655 1/20 0.56
PAM P19021 2/20 0.52
MEN1 O00255 1/20 0.51
GMNN O75496 1/20 0.51
HSP90AA1 P07900 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
CYP1A2 P05177 1/20 0.51
TP53 P04637 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL27611224 1.00 LMNA (0.77) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL3834695 1.00 LMNA (0.77) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL11614143 1.00 LMNA (0.77) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL27593159 1.00 LMNA (0.77) LMNAMAPTMAPK1ALDH1A1DGKA
Acetic Acid SCHEMBL10783410 0.94 LMNA (0.69) LMNAMAPTMAPK1ALDH1A1DGKA
Acetic Acid SCHEMBL8011829 0.94 LMNA (0.69) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL3834694 0.92 LMNA (0.67) LMNAMAPTMAPK1ALDH1A1PAM
SCHEMBL27593161 0.92 LMNA (0.67) LMNAMAPTMAPK1ALDH1A1PAM
SCHEMBL27611225 0.92 LMNA (0.67) LMNAMAPTMAPK1ALDH1A1PAM
SCHEMBL3835895 0.92 LMNA (0.67) LMNAMAPTMAPK1ALDH1A1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448508-B1 DOUBLE ESTERS DRUG DISCOVERY LAB AS (NO) 2009-09-23 EP disclosed
EP-1448508-A1 DOUBLE ESTERS Photocure ASA (NO) 2004-08-25 EP disclosed
WO-2003045893-A1 DOUBLE ESTERS PHOTOCURE ASA (NO) 2003-06-05 WO disclosed