SCHEMBL2784313

SCHEMBL2784313

O=COc1cccc(Nc2ccc(-c3ccc(Nc4cccc(OC=O)c4)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.45
MTNR1A P48039 4/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
AR P10275 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL1921418 0.77 MTNR1B (0.66) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL24510192 0.77 APP (0.45) MTNR1BMTNR1AMEN1KMT2AALDH1A1
SCHEMBL11840944 0.77 RXFP1 (0.40) MTNR1BMTNR1AMEN1KMT2AALDH1A1
SCHEMBL172489 0.75 MAPT (0.48) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL14877346 0.74 KMT2A (0.41) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL1922066 0.72 KIF11 (0.54) ALDH1A1MAPTHPGDTSHRALOX15
SCHEMBL2784315 0.72 MTNR1B (0.46) MTNR1BMTNR1AMEN1KMT2AALDH1A1
SCHEMBL7559758 0.72 MTNR1B (0.60) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL3189065 0.72 DRD1 (0.45)
SCHEMBL7350331 0.71 MTNR1A (0.55) MTNR1BMTNR1AMEN1KMT2AALDH1A1

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
EP-1407500-B1 ELECTROACTIVE POLYMERS AND DEVICES MADE THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2008-11-12 EP claimed
US-20030045642-A1 Reacting aromatic or heteroaromatic monomers to build indivisual blocks separately, followed by combining indivisual blocks to form a single component block polymer DEPARTMENT OF THE NAVY 2003-03-06 US claimed
EP-2262021-A1 Electroactive polymers and devices made therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2010-12-15 EP disclosed
EP-2262022-A1 Electroactive polymers and devices made therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2010-12-15 EP disclosed