SCHEMBL2422357

SCHEMBL2422357

CC(=O)c1c(C23C4C5C6C2[Fe]56432789C3C2C7C8C39)oc2cc(C)ccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.36
▸ RAB9A P51151 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ CDC25A P30304 1/20 0.31
▸ CDC25C P30307 1/20 0.31

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
SCHEMBL2430119 0.74 ALDH1A1 (0.49) POLBALDH1A1MAPTKMT2AHPGD
SCHEMBL12324684 0.70 POLB (0.42) POLBRAB9AALDH1A1NPC1MAPT
SCHEMBL2429164 0.70 CYP2C9 (0.46) RAB9AALDH1A1NPC1MAPTKMT2A
SCHEMBL8175559 0.67 ALDH1A1 (0.55) POLBRAB9AALDH1A1NPC1MAPT
SCHEMBL31124704 0.67 ALDH1A1 (0.55) POLBRAB9AALDH1A1NPC1MAPT
SCHEMBL2425388 0.66 MAPT (0.48) POLBRAB9AALDH1A1NPC1MAPT
SCHEMBL2424187 0.63 MAOA (0.43) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL2428346 0.63 ESR2 (0.43) ALDH1A1HPGDKDM4ESMN1; SMN2GAA
SCHEMBL13910970 0.63 POLB (0.64) POLBRAB9AALDH1A1NPC1MAPT
SCHEMBL2420589 0.63 CA12 (0.50) POLBRAB9AALDH1A1NPC1MAPT

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
EP-2368895-A1 Ferrocenyl flavonoids Centre National de la Recherche Scientifique (CNRS) (FR) 2011-09-28 — — EP disclosed
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