SCHEMBL29598282

SCHEMBL29598282

c1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5cccc6ccccc56)oc5ccccc45)cc3)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ATM Q13315 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL22954008 1.00 L3MBTL1 (0.43) L3MBTL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL31619684 0.95 CHRM2 (0.46) L3MBTL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL25012774 0.91 PTGS2 (0.44) L3MBTL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL17751079 0.91 PTGS2 (0.44) L3MBTL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL27357124 0.87 PTPN22 (0.41) L3MBTL1KDM4EALDH1A1HSD17B10ATM
SCHEMBL29598031 0.87 RET (0.47) L3MBTL1KDM4EALDH1A1HSD17B10ATM
SCHEMBL28942819 0.87 RET (0.47) L3MBTL1KDM4EALDH1A1HSD17B10ATM
SCHEMBL26827954 0.83 L3MBTL1 (0.38) L3MBTL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL22954054 0.82 PTGS2 (0.54) L3MBTL1CHRM2CHRM4CHRM5CHRM1
SCHEMBL22954006 0.82 PTGS2 (0.54) L3MBTL1CHRM2CHRM4CHRM5CHRM1

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
CN-114514225-A Electroactive compounds 杜邦电子公司 2022-05-17 CN disclosed