SCHEMBL6284489

SCHEMBL6284489

O=C(O)c1cc(C(=O)O)cc(C(=O)OCC=CCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TOP1 P11387 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.39
TK1 P04183 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL14775503 0.79 MAOB (0.58) MAOBKMT2ASLC6A2SLC6A3TDP1
SCHEMBL14775505 0.79 MAOB (0.58) MAOBKMT2ASLC6A2SLC6A3TDP1
SCHEMBL9266925 0.77 KMT2A (0.72) KMT2ASLC6A2SLC6A3TDP1MEN1
SCHEMBL312211 0.77 KMT2A (0.72) KMT2ASLC6A2SLC6A3TDP1MEN1
SCHEMBL5933703 0.77 MAOB (0.56) MAOBKMT2ASLC6A2SLC6A3TDP1
SCHEMBL5933698 0.77 MAOB (0.56) MAOBKMT2ASLC6A2SLC6A3TDP1
SCHEMBL8078151 0.76 TDP1 (0.61) KMT2ASLC6A2SLC6A3TDP1L3MBTL1
SCHEMBL8522570 0.76 TDP1 (0.61) KMT2ASLC6A2SLC6A3TDP1L3MBTL1
SCHEMBL8522569 0.76 TDP1 (0.61) KMT2ASLC6A2SLC6A3TDP1L3MBTL1
SCHEMBL5933665 0.76 MAOB (0.54) MAOBKMT2ASLC6A2SLC6A3TDP1

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