SCHEMBL69522

SCHEMBL69522

COC(=O)/C=C/c1ccccc1/C=C/C(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
KDM4E B2RXH2 4/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
TYR P14679 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
NFE2L2 Q16236 3/20 0.55

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
SCHEMBL10438847 1.00 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11061667 0.98 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7682794 0.92 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7682782 0.92 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7682800 0.92 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7682789 0.92 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6797178 0.92 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL14279555 0.92 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL63054 0.88 MAPT (0.65) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL1157798 0.88 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed