SCHEMBL2426267

SCHEMBL2426267

O=C(O)c1ccc2oc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)cc(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 5/20 0.58
▸ TTR P02766 7/20 0.45
▸ TNKS O95271 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ USP2 O75604 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ CSNK2B P67870 1/20 0.35

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
SCHEMBL2424881 0.82 MAPT (0.49) ALDH1A1KDM4EMEN1TP53CYP2C9
SCHEMBL2425388 0.80 MAPT (0.48) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL2424973 0.80 ADCY1 (0.49) TTRTNKSALDH1A1KDM4ETP53
SCHEMBL2424542 0.78 CSNK2A2 (0.47) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL2425083 0.77 TNKS (0.45) TNKSALDH1A1KDM4ETP53HPGD
SCHEMBL2427801 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1TP53CYP2C9
SCHEMBL2422437 0.73 KDM4E (0.49) STSALDH1A1KDM4EMEN1HPGD
SCHEMBL2422315 0.73 KMT2A (0.36) KDM4EMEN1TP53KMT2ACSNK2A2
SCHEMBL18144902 0.72 ALDH1A1 (0.69) STSTTRTNKSALDH1A1AKR1B1
SCHEMBL2426361 0.72 ALOX15 (0.38) ALDH1A1AKR1B1KDM4EMEN1TP53

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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