SCHEMBL31429079

SCHEMBL31429079

CCOC(=O)Cc1c(OC)ccc2[nH]c(C)c(C=O)c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 5/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL27889099 0.78 LMNA (0.47) LMNAKDM4EL3MBTL1ALDH1A1GAA
SCHEMBL5809697 0.77 PTGS1 (0.46) L3MBTL1ALDH1A1MAPT
SCHEMBL7965141 0.75 SLC2A1 (0.54) LMNAKDM4EL3MBTL1ALDH1A1GAA
SCHEMBL5809599 0.73 ESR1 (0.38) LMNAKDM4EL3MBTL1HPGDMEN1
SCHEMBL7849324 0.72 ERN1 (0.36) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL28900180 0.72 STING1 (0.47) SMN1; SMN2LMNAKDM4EALDH1A1GAA
SCHEMBL18277350 0.70 TSHR (0.50) SMN1; SMN2LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL7498507 0.69 NQO2 (0.44) LMNAKDM4EL3MBTL1ALDH1A1GAA
SCHEMBL29655578 0.69 SLC2A1 (0.49) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL856590 0.69 LMNA (0.46) SMN1; SMN2LMNAKDM4EGAAMAPT

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-119350333-A NQO1 agonist based on evodiamine and preparation method and application thereof 陕西中医药大学 2025-01-24 CN disclosed