Butein

Butein

SCHEMBL1706409

C=CCC.O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)cc1O

nearest known ligand 0.80

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.80
MEN1 O00255 6/20 0.80
NFKB1 P19838 4/20 0.80
NFKB2 Q00653 3/20 0.80
RELA Q04206 3/20 0.80
AKR1B1 P15121 2/20 0.80
HSD17B2 P37059 2/20 0.80
EGFR P00533 1/20 0.80
SRC P12931 1/20 0.80
CDK2 P24941 1/20 0.80
PIK3CA P42336 1/20 0.80
HDAC6 Q9UBN7 1/20 0.80
CYP3A4 P08684 5/20 0.63
MAPT P10636 5/20 0.63
MAPK1 P28482 5/20 0.63
TDP1 Q9NUW8 4/20 0.63
HPGD P15428 4/20 0.63
ALOX15 P16050 4/20 0.63
TP53 P04637 3/20 0.63
HSD17B10 Q99714 3/20 0.63

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
Butein SCHEMBL25209583 1.00 KMT2A (0.80) KMT2AMEN1NFKB1NFKB2RELA
Butein SCHEMBL30383523 0.89 KMT2A (1.00) KMT2AMEN1NFKB1NFKB2RELA
Butein SCHEMBL505501 0.89 KMT2A (1.00) KMT2AMEN1NFKB1NFKB2RELA
Butein SCHEMBL243647 0.89 KMT2A (1.00) KMT2AMEN1NFKB1NFKB2RELA
Butein SCHEMBL25202104 0.89 KMT2A (1.00) KMT2AMEN1NFKB1NFKB2RELA
Butein SCHEMBL243646 0.89 KMT2A (1.00) KMT2AMEN1NFKB1NFKB2RELA
Butein SCHEMBL139243 0.89 KMT2A (1.00) KMT2AMEN1NFKB1NFKB2RELA
Butein SCHEMBL29724857 0.89 KMT2A (1.00) KMT2AMEN1NFKB1NFKB2RELA
Butein SCHEMBL25200377 0.88 KMT2A (0.97) KMT2AMEN1NFKB1NFKB2RELA
SCHEMBL19645123 0.83 MEN1 (0.72) KMT2AMEN1NFKB1NFKB2RELA

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-2027279-B1 Phenolic compounds with cosmetic and therapeutic applications LIBRAGEN (FR) 2012-04-18 EP claimed
EP-2027279-B1 Phenolic compounds with cosmetic and therapeutic applications LIBRAGEN (FR) 2012-04-18 EP disclosed