SCHEMBL2426361

SCHEMBL2426361

Cc1cc2oc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)cc(=O)c2cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MCL1 Q07820 4/20 0.38
▸ AKR1B1 P15121 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 9/20 0.36
▸ MEN1 O00255 6/20 0.36
▸ POLB P06746 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ CSNK2A2 P19784 2/20 0.36
▸ CSNK2B P67870 2/20 0.36
▸ CSNK2A1 P68400 2/20 0.36
▸ CTDSP1 Q9GZU7 2/20 0.36
▸ MAPT P10636 3/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ TP53 P04637 2/20 0.34

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
SCHEMBL2422315 0.89 KMT2A (0.36) KDM4ETHRBKMT2AMEN1POLB
SCHEMBL2427221 0.84 ESR1 (0.31) —
SCHEMBL2423693 0.84 CSNK2A2 (0.40) HPGDALDH1A1MCL1KMT2AMEN1
SCHEMBL2421160 0.81 KDM4E (0.48) ALOX15KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL2425388 0.78 MAPT (0.48) KDM4EHPGDHSD17B10ALDH1A1CYP3A4
SCHEMBL2430119 0.78 ALDH1A1 (0.49) KDM4EHPGDHSD17B10ALDH1A1CYP3A4
SCHEMBL2427139 0.78 HPGD (0.49) ALOX15KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL2424881 0.78 MAPT (0.49) ALOX15KDM4EHPGDALDH1A1CYP3A4
SCHEMBL2426911 0.74 AR (0.47) ALOX15KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL2423287 0.74 KMT2A (0.38) KDM4EALDH1A1CYP3A4THRBKMT2A

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-2368895-A1 Ferrocenyl flavonoids Centre National de la Recherche Scientifique (CNRS) (FR) 2011-09-28 — — EP disclosed
WO-2011107572-A1 FERROCENYL FLAVONOIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-09-09 — — WO disclosed
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