SCHEMBL3083090

SCHEMBL3083090

CC=CCOCC(O)CNc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCB1 P08183 4/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
DNM1 Q05193 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR4 O00206 1/20 0.36
CYP2D6 P10635 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL529792 0.84 MAPT (0.54) MAPTHTTSMN1; SMN2ABCB1ADRB1
SCHEMBL3083085 0.78 MAPT (0.57) MAPTHTTSMN1; SMN2ABCB1ADRB1
SCHEMBL98080 0.77 MAPT (0.52) MAPTHTTSMN1; SMN2ABCB1ADRB1
SCHEMBL13838308 0.76 MAPT (0.59) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL3393717 0.75 MAPT (0.56) MAPTHTTSMN1; SMN2ABCB1ADRB1
SCHEMBL9788117 0.75 MAPT (0.50) MAPTHTTSMN1; SMN2ABCB1ADRB1
SCHEMBL11602854 0.75 MAPT (0.88) MAPTHTTSMN1; SMN2ABCB1ADRB1
SCHEMBL24180453 0.74 MAPT (0.73) MAPTHTTSMN1; SMN2ABCB1ADRB1
SCHEMBL17845180 0.74 MAPT (0.68) MAPTHTTSMN1; SMN2ABCB1ADRB1
SCHEMBL22584879 0.73 MAPT (0.47) MAPTHTTSMN1; SMN2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227095-A1 ACRYLIC RUBBER COMPOSITION, AND VULCANIZED RUBBER THEREOF AND ITS APPLICATIONS DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2010-09-09 US disclosed