SCHEMBL8766700

SCHEMBL8766700

CC(C)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1.O=C1C=CC(=O)N1c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)C=CC5=O)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 16/20 0.53
HSP90AA1 P07900 3/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
FAAH O00519 5/20 0.42
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
DDAH1 O94760 1/20 0.34

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
SCHEMBL94319 0.93 MGLL (0.60) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL15875894 0.90 MGLL (0.64) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL94891 0.90 MGLL (0.64) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL485546 0.90 MGLL (0.64) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL24753819 0.84 MGLL (0.61) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL24541383 0.84 MGLL (0.70) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL10297376 0.84 MGLL (0.57) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL1155772 0.83 MGLL (0.60) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL24208354 0.83 MGLL (0.47) MGLLHSP90AA1PKMALDH1A1HPGD
SCHEMBL487831 0.82 MGLL (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449292-B1 Multilayer printed circuit board and production thereof HITACHI LTD (JP) 1997-08-20 EP disclosed