SCHEMBL11652197

SCHEMBL11652197

COC=C(C)C(=O)OCC(O)CNc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB1 P08588 5/20 0.41
ADRB3 P13945 5/20 0.41
ADRB2 P07550 4/20 0.41
ABCB1 P08183 4/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX12 P18054 1/20 0.39
HSP90AA1 P07900 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL11651231 0.86 MAPT (0.49) MAPTHTTSMN1; SMN2ADRB1ADRB3
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL4231187 0.83 MAPT (0.54) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL98079 0.83 MAPT (0.54) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11653815 0.83 MAPT (0.48) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11650892 0.81 MAPT (0.47) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11194286 0.77 MAPT (0.49) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL98080 0.77 MAPT (0.52) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL11648049 0.77 MAPT (0.51) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL9788116 0.74 MAPT (0.51) MAPTHTTSMN1; SMN2ADRB1ADRB3
SCHEMBL3393717 0.73 MAPT (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4087619-A Amine containing antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-05-02 US disclosed
US-3979436-A ACRYLIC ESTERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-09-07 US disclosed