SCHEMBL6274844

SCHEMBL6274844

[c]1ccc2c(-c3cccc4c[c]ccc34)cccc2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.31
CES2 O00748 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
MCL1 Q07820 1/20 0.31
HPGD P15428 2/20 0.30
CASP1 P29466 2/20 0.30
HIF1A Q16665 2/20 0.30
TP53 P04637 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL2268337 0.94 CYP1A2 (0.41) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL144462 0.86 TNF (0.44) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL20774103 0.85 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL350813 0.82 NISCH (0.31)
SCHEMBL3903769 0.82 CYP1B1 (0.30)
SCHEMBL9989292 0.81 CYP17A1 (0.39) CYP1A2
SCHEMBL2781984 0.81 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL2271084 0.80 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1
SCHEMBL2265426 0.80 GSTP1 (0.46) CYP1A2MCL1
SCHEMBL9989150 0.80 CA12 (0.40) ALDH1A1TSHRMAPK1HSD17B10L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020121577-A1 EPOXY COMPOUND JNC株式会社 2020-06-18 WO disclosed
JP-2005232276-A AROMATIC POLYKETONE HAVING 1,1'-BINAPHTHYL-6,6'-YLENE SKELETON AND AROMATIC POLYKETONE PRECURSOR AND METHODS FOR PRODUCING THEM TDK CORP 2005-09-02 JP disclosed
JP-2003261680-A BINAPHTHYLSILOXANE BASED POLYMER AND ITS PRODUCTION METHOD NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY 2003-09-19 JP disclosed