SCHEMBL5082552

SCHEMBL5082552

O=C(O)c1ccc(OC(=O)c2ccc3cc(O)ccc3c2)cc1.O=C(O)c1ccc2cc(C(=O)Oc3ccc(O)cc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
ESR1 P03372 3/20 0.51
MEN1 O00255 6/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL4132871 0.97 KMT2A (0.54) KMT2AESR1MEN1CASP3SENP8
Paraben SCHEMBL5079569 0.97 CA1 (0.53) KMT2AESR1MEN1CASP3SENP8
SCHEMBL5081665 0.96 HSD17B10 (0.50) KMT2AESR1MEN1CASP3SENP8
Paraben SCHEMBL5260518 0.95 CA12 (0.52) KMT2AESR1MEN1CASP3SENP8
Terephthalic Acid SCHEMBL4935828 0.95 CA12 (0.52) KMT2AESR1MEN1CASP3SENP8
SCHEMBL5024613 0.95 CA1 (0.55) KMT2AESR1MEN1CASP3SENP8
SCHEMBL7193077 0.94 HSD17B10 (0.49) KMT2AESR1MEN1CASP3SENP8
SCHEMBL6839469 0.94 HSD17B10 (0.49) KMT2AESR1MEN1CASP3SENP8
SCHEMBL5082470 0.93 HSD17B10 (0.50) KMT2AESR1MEN1CASP3SENP8
Paraben SCHEMBL5085969 0.92 HSD17B10 (0.53) KMT2AESR1MEN1KDM4ECA12

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
EP-1645584-B1 Method for manufacturing wholly aromatic liquid-crystalline polyester resin UENO SEIYAKU OYO KENKYUJO KK (JP) 2008-06-18 EP disclosed
EP-1645584-A1 Method for manufacturing wholly aromatic liquid-crystalline polyester resin KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2006-04-12 EP disclosed