SCHEMBL29548536

SCHEMBL29548536

CCCCCCCC(C)c1cccc2oc3c(F)cccc3c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ NQO1 P15559 1/20 0.35
▸ TOP2A P11388 2/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL29548558 0.87 MAOA (0.37) MAOAEGFRNQO1TOP2A
SCHEMBL9319212 0.72 MAOA (0.42) MAOANQO1MGAMGAASI
SCHEMBL2673792 0.71 MAPT (0.40) MAOAGAA
SCHEMBL28256797 0.71 MAOA (0.44) MAOANQO1TOP2A
SCHEMBL24920008 0.71 CSNK1E (0.41) —
SCHEMBL18174894 0.71 NQO1 (0.38) MAOANQO1
SCHEMBL20257934 0.70 MEN1 (0.36) —
SCHEMBL18174884 0.70 NPC1 (0.38) NQO1
SCHEMBL201562 0.68 SOAT1 (0.41) —
SCHEMBL29547534 0.67 MAOA (0.64) MAOAEGFR

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-109311860-B Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases 豪夫迈·罗氏有限公司 2022-04-08 — — CN disclosed
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