SCHEMBL5517048

SCHEMBL5517048

COc1cc(N2C(=O)C3C4C=CC(C4)C3C2=O)c(OC)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
RAB9A P51151 2/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
CCR6 P51684 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
PPOX P50336 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.43

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
SCHEMBL5524583 0.94 GAA (0.64) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL3191908 0.89 GAA (0.61) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL3191920 0.89 GAA (0.61) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL14494346 0.89 GAA (0.51) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL14599389 0.84 SMN1; SMN2 (0.63) GAAMEN1KMT2ARAB9APKM
SCHEMBL14494386 0.83 GAA (0.51) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL3190761 0.82 MEN1 (0.67) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL3179839 0.81 GAA (0.51) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL3179825 0.81 GAA (0.51) GAAMEN1KMT2AALDH1A1MAPK1
SCHEMBL3186891 0.80 TSHR (0.58) GAAMEN1KMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230058-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-06-12 US disclosed
US-7230058-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-06-12 US disclosed
US-7230058-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-06-12 US disclosed
US-7157523-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-01-02 US disclosed
US-20060189771-A1 Ring-opened polynorbornenes JSR CORPORATION (JP) 2006-08-24 US disclosed
US-20060041092-A1 Ring-opened polynorbornenes JSR CORPORATION (JP) 2006-02-23 US disclosed