SCHEMBL2427801

SCHEMBL2427801

COc1ccc2oc(C34C5C6C7C3[Fe]6754389%10C4C3C8C9C4%10)cc(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ HPGD P15428 6/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ MAPT P10636 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL2425524 0.90 MAOB (0.53) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL2422437 0.86 KDM4E (0.49) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL2425388 0.82 MAPT (0.48) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL2425862 0.81 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL2424881 0.80 MAPT (0.49) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL2420726 0.80 GABRP (0.47) MAPTTP53CYP3A4MAPK1CSNK2A2
SCHEMBL2424973 0.80 ADCY1 (0.49) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL2425083 0.77 TNKS (0.45) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL2427637 0.77 ABCB1 (0.51) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL2426267 0.76 STS (0.58) ALDH1A1HPGDKDM4ETP53HSD17B10

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
Send feedback