SCHEMBL8526538

SCHEMBL8526538

O=C1C=CC(=O)N1c1ccc(OCCOc2ccc(N3C(=O)C=CC3=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.62
FAAH O00519 5/20 0.62
HSP90AA1 P07900 3/20 0.56
PKM P14618 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
CCR6 P51684 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
DDAH1 O94760 1/20 0.47
BCHE P06276 1/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46

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
SCHEMBL8542401 1.00 MGLL (0.62) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL8528761 0.94 MGLL (0.56) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL18840331 0.94 MGLL (0.56) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL3668333 0.94 MGLL (0.60) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL10297378 0.91 MGLL (0.62) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL15033477 0.89 MGLL (0.59) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL28773523 0.89 MGLL (0.55) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL11932953 0.87 MGLL (0.57) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL10038471 0.87 MGLL (0.49) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL14380339 0.87 MGLL (0.57) MGLLFAAHHSP90AA1PKMALDH1A1

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-0603731-B1 Purification of liquid crystals and liquid crystal composition HITACHI CHEMICAL CO LTD (JP) 1998-03-11 EP disclosed
US-5540857-A Purification of liquid crystals and liquid crystal composition HITACHI CHEMICAL CO., LTD. (JP) 1996-07-30 US disclosed
US-5422034-A Treating with porous polyimide particles; high voltage retention and high display properties HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-06-06 US disclosed
EP-0603731-A1 Purification of liquid crystals and liquid crystal composition HITACHI CHEMICAL COMPANY, LTD. (JP) 1994-06-29 EP disclosed