SCHEMBL8961446

SCHEMBL8961446

O=C(OCc1ccccc1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.79
TDP1 Q9NUW8 4/20 0.79
SLC6A2 P23975 1/20 0.79
SLC6A3 Q01959 1/20 0.79
LMNA P02545 4/20 0.77
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 6/20 0.66
MAPT P10636 4/20 0.66
HPGD P15428 1/20 0.66
RAB9A P51151 3/20 0.59
GAA P10253 1/20 0.59
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PLA2G10 O15496 1/20 0.56
PLA2G2A P14555 1/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL312287 0.92 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3083135 0.89 KMT2A (0.79) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL901058 0.88 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.88 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL8010992 0.88 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5085718 0.88 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL13469241 0.87 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5383057 0.87 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1482628 0.87 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL419555 0.87 KMT2A (0.81) KMT2ATDP1SLC6A2SLC6A3LMNA

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-0599580-B1 Thermal recording sheet JUJO PAPER CO LTD (JP) 1996-02-07 EP claimed