SCHEMBL2997498

SCHEMBL2997498

CC(=O)OCC1CCCCCCC1COC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 2/20 0.36
NLRP3 Q96P20 2/20 0.36
HMGCR P04035 1/20 0.35
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8674650 1.00 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CYP3A4MEN1
SCHEMBL8674653 1.00 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10CYP3A4MEN1
SCHEMBL8444777 0.98 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CYP3A4MEN1
SCHEMBL8444773 0.98 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CYP3A4MEN1
SCHEMBL8675010 0.93 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10NLRP3
SCHEMBL24912279 0.88 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10NLRP3
SCHEMBL17550206 0.88 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10NLRP3
SCHEMBL15615426 0.85 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10NLRP3
SCHEMBL16470991 0.85 EPHX1 (0.36) ALDH1A1LMNAHSD17B10CYP3A4MEN1
SCHEMBL11566759 0.85 CHRM1 (0.39) ALDH1A1LMNAHSD17B10CYP3A4MEN1

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
US-20100181535-A1 THE PHOTOSTABILITY AND/OR CONTROL OF THE FLUORESCENCE INTENSITY OF FLUORESCENT DYES PICOQUANT GMBH (DE) 2010-07-22 US disclosed
EP-2164924-A2 IMPROVING THE PHOTOSTABILITY AND/OR CONTROL OF THE FLUORESCENCE INTENSITY OF FLUORESCENT DYES Picoquant GmbH (DE) 2010-03-24 EP disclosed
WO-2009003948-A2 PROCESS FOR IMPROVING THE PHOTOSTABILITY AND/OR CONTROL OF THE FLUORESCENCE INTENSITY OF FLUORESCENT DYES UNIVERSITÄT BIELEFELD (DE) 2009-01-08 WO disclosed