SCHEMBL9302232

SCHEMBL9302232

CC(c1ccccc1)(c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1)c1ccc(Oc2ccc(N3C(=O)C=CC3=O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.71
FAAH O00519 4/20 0.49
HSP90AA1 P07900 4/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CCR6 P51684 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
DDAH1 O94760 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3832616 0.91 MGLL (0.61) MGLLFAAHHSP90AA1LMNAALDH1A1
SCHEMBL9303263 0.86 MGLL (0.56) MGLLFAAHHSP90AA1LMNAALDH1A1
SCHEMBL15875894 0.84 MGLL (0.64) MGLLFAAHHSP90AA1LMNAALDH1A1
SCHEMBL485546 0.84 MGLL (0.64) MGLLFAAHHSP90AA1LMNAALDH1A1
SCHEMBL94891 0.84 MGLL (0.64) MGLLFAAHHSP90AA1LMNAALDH1A1
SCHEMBL9851263 0.84 MGLL (0.64) MGLLFAAHHSP90AA1LMNAALDH1A1
SCHEMBL3675014 0.84 MGLL (1.00) MGLLFAAHHSP90AA1LMNAALDH1A1
SCHEMBL22862116 0.83 MGLL (0.73) MGLLFAAHHSP90AA1LMNAALDH1A1
SCHEMBL487831 0.82 MGLL (0.58) MGLLFAAHHSP90AA1LMNAALDH1A1
SCHEMBL25298886 0.81 MGLL (0.60) MGLLFAAHHSP90AA1LMNAALDH1A1

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
US-5371236-A Low melting point; excellent solubility in solvent MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1994-12-06 US disclosed