SCHEMBL6282770

SCHEMBL6282770

O=C(OCc1ccccc1)c1cc(C(=O)OCc2ccccc2)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.81
TDP1 Q9NUW8 3/20 0.81
SLC6A2 P23975 1/20 0.81
SLC6A3 Q01959 1/20 0.81
LMNA P02545 3/20 0.72
ALDH1A1 P00352 7/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 1/20 0.62
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.54

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
SCHEMBL9266925 0.94 KMT2A (0.72) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312211 0.94 KMT2A (0.72) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9696689 0.94 TDP1 (0.72) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312910 0.92 TDP1 (0.81) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL4993714 0.91 TDP1 (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL4314829 0.91 KMT2A (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9166162 0.90 TDP1 (0.72) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL21924208 0.89 KMT2A (0.66) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL8665150 0.89 TDP1 (0.66) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6851170 0.89 KMT2A (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846900-B2 POLYVALENT CARBOXYLIC ACID ESTER, PROCESS FOR PRODUCING THE CARBOXYLIC ACID ESTER, PLASTIC LENS COMPOSITION USING THE CARBOXYLIC ESTER, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K.K. (JP) 2005-01-25 US disclosed
WO-2002079140-A1 NOVEL POLYVALENT CARBOXYLIC ACID ESTERS AND THEIR USE IN PLASTIC LENS COMPOSITIONS SHOWA DENKO K. K. (JP) 2002-10-10 WO disclosed