SCHEMBL30777900

SCHEMBL30777900

OCC12CC(c3ccc4c(c3)COc3cc(OCc5ccccc5)ccc3-4)(C1)C2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.54
MAOA P21397 10/20 0.54
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
GRM5 P41594 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALOX5 P09917 2/20 0.40
CA2 P00918 2/20 0.39
CA5A P35218 2/20 0.39

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
SCHEMBL30777892 0.80 MIF (0.36) MAOBMAOAALDH1A1RAB9AROCK2
SCHEMBL803144 0.79 MAOB (0.66) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL802631 0.75 MAOB (0.64) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL30777896 0.72 MAOB (0.62) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL26785064 0.71 MAOB (0.64) MAOBMAOANPC1ALDH1A1RAB9A
SCHEMBL29853514 0.71 MAOB (0.64) MAOBMAOANPC1ALDH1A1RAB9A
SCHEMBL803206 0.71 MAOB (0.58) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL281588 0.71 MAOB (1.00) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL9487931 0.70 MAOB (0.66) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL9487929 0.70 MAOB (0.66) MAOBMAOANPC1ALDH1A1HPGD

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
EP-4561556-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES Vandria SA (CH) 2025-06-04 EP disclosed
WO-2024025953-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES VANDRIA SA (CH) 2024-02-01 WO disclosed