SCHEMBL5082470

SCHEMBL5082470

O=C(O)c1ccc(C(=O)Oc2ccc(-c3ccc(O)cc3)cc2)cc1.O=C(O)c1ccc(OC(=O)c2ccc3cc(O)ccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 5/20 0.48
ESR1 P03372 3/20 0.48
MEN1 O00255 4/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ESR2 Q92731 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL6839469 0.99 HSD17B10 (0.49) HSD17B10KMT2AESR1MEN1CASP3
SCHEMBL7193077 0.99 HSD17B10 (0.49) HSD17B10KMT2AESR1MEN1CASP3
SCHEMBL5081665 0.97 HSD17B10 (0.50) HSD17B10KMT2AESR1MEN1CASP3
SCHEMBL6394400 0.96 HSD17B10 (0.51) HSD17B10KMT2AESR1MEN1CA12
SCHEMBL2345023 0.96 HSD17B10 (0.51) HSD17B10KMT2AESR1MEN1CA12
SCHEMBL5023168 0.94 KMT2A (0.53) HSD17B10KMT2AESR1MEN1CASP3
SCHEMBL5015779 0.94 HSD17B10 (0.53) HSD17B10KMT2AESR1MEN1CA12
Paraben SCHEMBL5085969 0.94 HSD17B10 (0.53) HSD17B10KMT2AESR1MEN1CA12
Paraben SCHEMBL4939242 0.94 HSD17B10 (0.53) HSD17B10KMT2AMEN1CA12CA1
SCHEMBL5082552 0.93 KMT2A (0.51) HSD17B10KMT2AESR1MEN1CASP3

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