SCHEMBL2422437

SCHEMBL2422437

CCOc1ccc2oc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)cc(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ HPGD P15428 4/20 0.49
▸ POLB P06746 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL2424066 0.90 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2427801 0.86 ALDH1A1 (0.52) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL2425862 0.85 ALDH1A1 (0.51) KDM4EALDH1A1HPGDPOLBCA12
SCHEMBL2425388 0.79 MAPT (0.48) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL2421923 0.77 HPGD (0.49) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL2424973 0.77 ADCY1 (0.49) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2424881 0.77 MAPT (0.49) KDM4EALDH1A1HPGDMEN1TSHR
SCHEMBL2425524 0.76 MAOB (0.53) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL2425083 0.74 TNKS (0.45) KDM4EALDH1A1HPGDPOLBCA12
SCHEMBL2426267 0.73 STS (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1

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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