SCHEMBL3264063

SCHEMBL3264063

O=C(OCc1ccccc1)c1ccc(OC(=O)c2ccc(O)cc2Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
HSP90AA1 P07900 1/20 0.54
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
EGFR P00533 3/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL30578632 0.86 LMNA (0.67) LMNAHSP90AA1KMT2ATDP1SLC6A2
SCHEMBL6762297 0.86 TDP1 (0.58) LMNAHSP90AA1KMT2ATDP1SLC6A2
SCHEMBL10708477 0.82 LMNA (0.81) LMNAHSP90AA1KMT2ATDP1SLC6A2
SCHEMBL6698424 0.81 NPC1 (0.47) LMNAHSP90AA1KMT2AMEN1ALDH1A1
SCHEMBL9696121 0.80 KMT2A (0.73) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL10344103 0.80 KMT2A (0.73) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL6565953 0.80 TDP1 (0.70) LMNAHSP90AA1KMT2ATDP1SLC6A2
SCHEMBL10574439 0.79 L3MBTL1 (0.59) LMNAHSP90AA1KMT2ATDP1MEN1
SCHEMBL8198304 0.79 KMT2A (0.77) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL30438068 0.79 KMT2A (0.58) LMNAHSP90AA1KMT2ATDP1SLC6A2

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-20100040738-A1 Extension Of Beverage Shelf-Stability By Solute-Ligand Complexes PEPSICO., INC. (US) 2010-02-18 US disclosed