SCHEMBL28952136

SCHEMBL28952136

COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 6/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
PTGS2 P35354 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL28952133 1.00 KDM4E (0.42) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL28964714 0.92 PTGS2 (0.39) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL28964715 0.92 PTGS2 (0.39) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL28951954 0.91 MAPT (0.40) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL28951951 0.91 MAPT (0.40) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL28952164 0.90 SUV39H2 (0.40) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL28952161 0.90 MAP1LC3B (0.46) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL28952165 0.90 SUV39H2 (0.40) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL28952134 0.89 NPSR1 (0.44) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL28952127 0.89 NPSR1 (0.44) KDM4EALDH1A1HPGDHTTNPSR1

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
CN-115703755-B 2H-benzopyran-2-one derivatives and uses thereof 成都赜灵生物医药科技有限公司 2024-07-02 CN disclosed
CN-115703755-A 2H-benzopyran-2-one derivatives and uses thereof 成都赜灵生物医药科技有限公司 2023-02-17 CN disclosed