SCHEMBL12324684

SCHEMBL12324684

CC(=O)c1c(CF)oc2cc(C)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL8175559 0.71 ALDH1A1 (0.55) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL31124704 0.71 ALDH1A1 (0.55) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL2422357 0.70 POLB (0.36) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL13910970 0.70 POLB (0.64) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL12325497 0.67 ALDH1A1 (0.59) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL31723154 0.67 MAPT (0.60) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL20919240 0.67 MAPT (0.60) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL8961883 0.66 MAOB (0.56) KMT2AALDH1A1HPGDGAANPC1
SCHEMBL13155383 0.66 MCL1 (0.45) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL9980172 0.65 ALPG (0.53) KMT2AALDH1A1HPGDGAAMAPT

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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