SCHEMBL237267

SCHEMBL237267

CC(=O)OC(=O)C1CCCC2CCCCC21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.31
CHRM1 P11229 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL5593742 0.88 TP53 (0.33) EPHX1TP53CYP3A4
SCHEMBL133108 0.82 ALDH1A1 (0.43) ALDH1A1TSHREPHX1TP53CYP3A4
SCHEMBL3000349 0.81 CHRM2 (0.43) TP53
SCHEMBL7247031 0.78 EPHX1 (0.35) ALDH1A1MEN1CYP2D6KMT2AEPHX1
SCHEMBL339518 0.78 EPHX1 (0.35) ALDH1A1MEN1CYP2D6KMT2AEPHX1
SCHEMBL4610992 0.78 EPHX1 (0.35) ALDH1A1MEN1CYP2D6KMT2AEPHX1
SCHEMBL3003560 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL7733838 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL14870941 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL10779925 0.75 KDM4E (0.41) ALDH1A1TSHRTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623504-B2 Polysaccharide-based pigments and fillers TEKNOLOGIAN TUTKIMUSKESKUS VTT (FI) 2014-01-07 US disclosed
US-20120003477-A1 NOVEL POLYSACCHARIDE-BASED PIGMENTS AND FILLERS TEKNOLOGIAN TUTKIMUSKESKUS VTT (FI) 2012-01-05 US disclosed
EP-2379602-A1 NOVEL POLYSACCHARIDE-BASED PIGMENTS AND FILLERS Teknologian Tutkimuskeskus VTT (FI) 2011-10-26 EP disclosed
WO-2010076392-A1 NOVEL POLYSACCHARIDE-BASED PIGMENTS AND FILLERS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-07-08 WO disclosed