SCHEMBL26577404

SCHEMBL26577404

C/C=C/C(=O)Oc1ccc2c(c1)c(=O)oc1cc(O)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
PDE2A O00408 1/20 0.58
NPSR1 Q6W5P4 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
PKLR P30613 1/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 2/20 0.51
STAT1 P42224 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 3/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
HSD17B3 P37058 3/20 0.47
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL26577398 0.95 MAPT (0.59) MAPTPDE2ANPSR1RXFP1PKLR
SCHEMBL26577394 0.92 ALDH1A1 (0.60) MAPTPDE2ANPSR1RXFP1ALDH1A1
SCHEMBL26577390 0.88 ALDH1A1 (0.70) MAPTNPSR1RXFP1ALDH1A1KDM4E
SCHEMBL26780127 0.84 MAPT (0.72) MAPTPDE2ANPSR1RXFP1PKLR
SCHEMBL26577348 0.80 MAPT (0.66) MAPTPDE2ANPSR1RXFP1PKLR
SCHEMBL803412 0.80 MAPT (1.00) MAPTPDE2ANPSR1RXFP1PKLR
SCHEMBL29853434 0.80 MAPT (1.00) MAPTPDE2ANPSR1RXFP1PKLR
SCHEMBL26780129 0.79 PDE2A (0.65) MAPTPDE2ANPSR1RXFP1PKLR
SCHEMBL29401099 0.76 PDE2A (1.00) MAPTPDE2ANPSR1RXFP1PKLR
SCHEMBL29368885 0.76 PDE2A (1.00) MAPTPDE2ANPSR1RXFP1PKLR

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
WO-2023198486-A1 UROLITHIN BUTYRATE COMPOUNDS DSM IP ASSETS B.V. (NL) 2023-10-19 WO disclosed