SCHEMBL28179451

SCHEMBL28179451

COc1ccc(Cn2cccc2-c2ccc(OCc3ccccc3)cc2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAOB P27338 1/20 0.45
▸ GAA P10253 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ REV1 Q9UBZ9 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MGAM O43451 2/20 0.42
▸ SI P14410 2/20 0.42
▸ MGAM2 Q2M2H8 2/20 0.42
▸ MDM2 Q00987 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL27992857 0.90 L3MBTL1 (0.51) ALDH1A1MAOBGAAREV1MGAM
SCHEMBL28179455 0.85 MAOB (0.55) MAPTMAOBTP53
SCHEMBL28851823 0.83 CYP11B1 (0.51) ALDH1A1KDM4EMAOBSMN1; SMN2REV1
SCHEMBL28815504 0.83 CYP11B1 (0.51) ALDH1A1KDM4EMAOBSMN1; SMN2REV1
SCHEMBL28178663 0.83 MGAM (0.47) ALDH1A1KDM4EGAASMN1; SMN2REV1
SCHEMBL28179447 0.83 REV1 (0.50) ALDH1A1MAPTKDM4EALOX12REV1
SCHEMBL27992859 0.81 REV1 (0.53) ALDH1A1MAPTKDM4EGAASMN1; SMN2
SCHEMBL28179445 0.80 MAPK14 (0.51) ALDH1A1MAPTKDM4EMAOBGAA
SCHEMBL28179429 0.80 MAOB (0.53) MAPTMAOBREV1TP53CD274
SCHEMBL28179433 0.79 REV1 (0.50) ALDH1A1MAPTKDM4EMAOBGAA

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-104370793-B Pyroles marine alkaloids Neolamellarin A analogs and its preparation method and application 中国海洋大学 2017-10-17 — — CN disclosed
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