SCHEMBL10012128

SCHEMBL10012128

O=C(O)c1cc2cccc3c4cc(C(=O)O)cc5cccc(c(c1)c23)c54

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
PTPN1 P18031 1/20 0.50
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA6 P23280 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLA2G2D Q9UNK4 1/20 0.42
RNASEH1 O60930 1/20 0.42

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
SCHEMBL16868408 0.84 MEN1 (0.53) MEN1KMT2APTPN1CA12CA1
SCHEMBL28384030 0.83 MEN1 (0.49) MEN1KMT2APTPN1CA12CA1
SCHEMBL28508926 0.83 MEN1 (0.52) MEN1KMT2APTPN1CA12CA1
SCHEMBL31456900 0.83 MEN1 (0.52) MEN1KMT2APTPN1CA12CA1
SCHEMBL27722555 0.82 MEN1 (0.66) MEN1KMT2APTPN1CA12CA1
Terephthalic Acid SCHEMBL28466704 0.81 MEN1 (0.57) MEN1KMT2APTPN1CA12CA1
SCHEMBL1901737 0.81 MEN1 (1.00) MEN1KMT2APTPN1CA12CA1
SCHEMBL27713166 0.78 MEN1 (0.46) MEN1KMT2APTPN1ALDH1A1HPGD
SCHEMBL6570619 0.78 KMT2A (0.46) MEN1KMT2APTPN1ALDH1A1HPGD
SCHEMBL22345884 0.77 KMT2A (0.73) MEN1KMT2APTPN1CA12CA1

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-2479199-B1 POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING SAME DAINIPPON INK & CHEMICALS (JP) 2017-07-19 EP disclosed
US-8946374-B2 Polyether ester composition, polyurethane resin composition, and optical material using the same DIC CORPORATION (JP) 2015-02-03 US disclosed
EP-2479199-A1 POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING SAME DIC Corporation (JP) 2012-07-25 EP disclosed
US-20120172567-A1 POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING THE SAME DIC CORPORATION (JP) 2012-07-05 US disclosed