SCHEMBL9877807

SCHEMBL9877807

C[C]C(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 16/20 0.58
HSP90AA1 P07900 4/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
CCR6 P51684 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
FAAH O00519 5/20 0.47
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
DDAH1 O94760 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
SCHEMBL9156707 0.82 MGLL (0.79) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL348789 0.82 MGLL (0.64) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL8560045 0.82 MGLL (0.68) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL487033 0.81 MGLL (0.84) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL4385482 0.81 MGLL (0.84) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL331752 0.81 MGLL (0.84) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL1156097 0.79 MGLL (0.64) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL349905 0.78 MGLL (0.63) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL5068628 0.76 MGLL (0.77) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL28454152 0.76 MGLL (0.89) MGLLHSP90AA1PKMALDH1A1HPGD

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-0232368-B1 AROMATIC BISMALEIMIDES AND PREPREG RESINS THEREFROM AMOCO CORPORATION (US) 1991-01-16 EP claimed
EP-0232368-A1 AROMATIC BISMALEIMIDES AND PREPREG RESINS THEREFROM. AMOCO CORP (US) 1987-08-19 EP claimed
WO-1987000835-A1 AROMATIC BISMALEIMIDES AND PREPREG RESINS THEREFROM AMOCO CORPORATION (US) 1987-02-12 WO claimed