SCHEMBL29596758

SCHEMBL29596758

Nc1ccc2c3ccccc3c3c4cccc5c6ccccc6c(c1c23)c54

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.45
NFE2L2 Q16236 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 3/20 0.42
THRB P10828 2/20 0.42
CYP3A4 P08684 4/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
HPRT1 P00492 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 2/20 0.38

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
SCHEMBL18600593 0.85 ALDH1A1 (0.52) KEAP1NFE2L2CRHBPCRHR2ALDH1A1
SCHEMBL18600594 0.85 ALDH1A1 (0.52) KEAP1NFE2L2CRHBPCRHR2ALDH1A1
SCHEMBL17781311 0.83 ALDH1A1 (0.50) KEAP1NFE2L2CRHBPCRHR2ALDH1A1
SCHEMBL11302617 0.82 CYP1A2 (0.58) KEAP1NFE2L2CRHBPCRHR2ALDH1A1
SCHEMBL2533864 0.82 CYP1A2 (0.58) KEAP1NFE2L2CRHBPCRHR2ALDH1A1
SCHEMBL4845687 0.82 CYP1A2 (0.58) KEAP1NFE2L2CRHBPCRHR2ALDH1A1
SCHEMBL1351306 0.79 ALDH1A1 (0.58) KEAP1NFE2L2CRHBPCRHR2ALDH1A1
SCHEMBL2537906 0.79 CYP1A2 (0.55) KEAP1NFE2L2CRHBPCRHR2ALDH1A1
SCHEMBL3808759 0.79 HSD17B10 (0.53) ALDH1A1HPGDHSD17B10CYP1A2THRB
SCHEMBL4764427 0.79 CYP1A2 (0.61) KEAP1NFE2L2CRHBPCRHR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901081-B Malonyl steviol glycosides and edible use thereof 弗门尼舍有限公司 2023-03-24 CN disclosed
CN-115315195-A Hydroxy-and methoxy-substituted flavonoids and their use 弗门尼舍有限公司 2022-11-08 CN disclosed
CN-115315194-A Hydroxy-and methoxy-substituted flavones and their use 弗门尼舍有限公司 2022-11-08 CN disclosed
CN-114343159-A Malonyl steviol glycosides and edible use thereof 弗门尼舍有限公司 2022-04-15 CN disclosed