SCHEMBL6352575

SCHEMBL6352575

CCOC(=O)c1ccc(-c2c3ccccc3c(-c3ccc(C(=O)OCC)cc3)c3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ESR1 P03372 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ESR2 Q92731 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TNKS O95271 1/20 0.57
LMNA P02545 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 7/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54

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
SCHEMBL31426904 1.00 KDM4E (0.59) KDM4ECA12CA1CA2ESR1
SCHEMBL21164596 0.89 TNKS (0.54) KDM4ECA12CA1CA2ESR1
SCHEMBL21164767 0.88 TNKS (0.53) KDM4ECA12CA1CA2ESR1
SCHEMBL28114342 0.87 KDM4E (0.49) KDM4ECA12CA1CA2ESR1
SCHEMBL11233586 0.87 CA1 (0.68) KDM4ECA12CA1CA2ESR1
SCHEMBL26944269 0.87 ACHE (0.53) KDM4ECA12CA1CA2ESR1
SCHEMBL29262081 0.84 LMNA (0.51) KDM4ECA12CA1CA2ESR1
SCHEMBL20494623 0.84 CDC25B (0.50) KDM4ECA12CA1CA2ESR1
SCHEMBL24106782 0.84 MEN1 (0.70) KDM4ECA12CA1CA2ESR1
SCHEMBL570961 0.84 MEN1 (0.70) KDM4ECA12CA1CA2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203269-A1 Dicarboxylic acids for dielectrics having barrier effect against copper diffusion INFINEON TECHNOLOGIES AG (DE) 2005-09-15 US disclosed