SCHEMBL12985404

SCHEMBL12985404

CCC1(COCCCOCc2ccc(N(c3ccc(OC)cc3)c3ccc(-c4ccc(N(c5ccc(COCCCOCC6(CC)COC6)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)COC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.36
TSHR P16473 1/20 0.34
NAAA Q02083 1/20 0.33
MAOB P27338 2/20 0.33
CHRM3 P20309 2/20 0.32
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
APP P05067 3/20 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
SCHEMBL10071624 0.90 TDP1 (0.37) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL14679363 0.88 TDP1 (0.44) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL13770036 0.87 UGCG (0.40) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL20652129 0.87 L3MBTL1 (0.40) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL3435034 0.86 MCHR1 (0.38) TSHRMAOB
SCHEMBL14679364 0.86 MCHR1 (0.38) TSHRMAOB
SCHEMBL10071630 0.86 TSHR (0.33) TSHR
SCHEMBL18674328 0.85 TDP1 (0.42) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL12974444 0.84 L3MBTL1 (0.41) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL14197609 0.83 TSHR (0.34) L3MBTL1TDP1GBA1UGCGGBA2

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-1671379-B1 ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTOR, AN ORGANIC SEMICONDUCTOR, AND AN INTERMEDIATE BUFFER LAYER MADE OF A POLYMER THAT IS CATIONICALLY POLYMERIZABLE MERCK PATENT GMBH (DE) 2010-12-22 EP disclosed
US-20070034862-A1 Electronic device comprising an organic semiconductor, an organic semiconductor, and an intermediate buffer layer made of a polymer that is cationically polymerizable and contains no photoacid COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-02-15 US disclosed
US-20070034862-A1 Electronic device comprising an organic semiconductor, an organic semiconductor, and an intermediate buffer layer made of a polymer that is cationically polymerizable and contains no photoacid COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-02-15 US disclosed