SCHEMBL23943273

SCHEMBL23943273

Bc1c(O)c(B)c(-c2c3ccccc3c(-c3cccc4oc5cc6ccccc6cc5c34)c3ccccc23)c(O)c1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PSD A5PKW4 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MAOA P21397 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL26501171 0.90 HDAC4 (0.34) MEN1TP53CYP3A4CYP2D6MAPT
SCHEMBL26519047 0.86 HDAC4 (0.33) ESR2ALOX5
SCHEMBL26533833 0.85 HDAC4 (0.32) ESR2ALOX5
SCHEMBL24735262 0.85 ALDH1A1 (0.32) HPGDHSD17B10MEN1TP53MAPT
SCHEMBL26518941 0.85 ESR2 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19ESR1
SCHEMBL26504907 0.82 MAOA (0.38) HPGDHSD17B10MEN1TP53CYP3A4
SCHEMBL27256136 0.82 ALOX5 (0.35) HPGDHSD17B10MEN1TP53CYP3A4
SCHEMBL26501217 0.82 NQO1 (0.32) HPGDHSD17B10MEN1TP53CYP3A4
SCHEMBL24454780 0.80 AHR (0.39) HPGDHSD17B10MEN1TP53CYP3A4
SCHEMBL26500418 0.80

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
WO-2021210305-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2021-10-21 WO disclosed