SCHEMBL30777907

SCHEMBL30777907

COCCOCCOc1ccc2c(c1)c(=O)oc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
STAT1 P42224 1/20 0.51
RAB9A P51151 1/20 0.51
ABCB1 P08183 2/20 0.51
ACHE P22303 10/20 0.50
BCHE P06276 8/20 0.50
MAOB P27338 1/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
CNR2 P34972 1/20 0.46

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
SCHEMBL30777906 1.00 MAPT (0.52) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL26768364 0.86 MAPT (0.53) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL30629163 0.85 MAPT (0.67) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL26766552 0.85 MAPT (0.67) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL26766710 0.82 KDM4E (0.57) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL16981542 0.82 ABCB1 (0.50) KDM4ELMNANPC1RAB9AABCB1
SCHEMBL10090166 0.81 LMNA (0.61) MAPTALDH1A1LMNAL3MBTL1NPC1
SCHEMBL26770695 0.81 MAPT (0.71) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL29853638 0.81 KDM4E (0.50) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL29853645 0.81 KDM4E (0.50) MAPTKDM4EALDH1A1LMNAL3MBTL1

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