SCHEMBL26577398

SCHEMBL26577398

C/C=C/C(=O)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
PDE2A O00408 1/20 0.58
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.51
STAT1 P42224 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
PPARG P37231 1/20 0.50
NCOA2 Q15596 1/20 0.50
PKLR P30613 1/20 0.49
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B3 P37058 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 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
SCHEMBL26577404 0.95 MAPT (0.66) MAPTPDE2AALDH1A1KDM4ENPC1
SCHEMBL26577394 0.92 ALDH1A1 (0.60) MAPTPDE2AALDH1A1KDM4ENPC1
SCHEMBL26577390 0.88 ALDH1A1 (0.70) MAPTALDH1A1KDM4ENPC1POLB
SCHEMBL26780129 0.84 PDE2A (0.65) MAPTPDE2AALDH1A1KDM4ENPC1
SCHEMBL26577346 0.80 ALDH1A1 (0.60) MAPTPDE2AALDH1A1KDM4ENPC1
SCHEMBL29853647 0.80 MAPT (0.89) MAPTPDE2AALDH1A1KDM4ENPC1
SCHEMBL26780124 0.80 MAPT (0.89) MAPTPDE2AALDH1A1KDM4ENPC1
SCHEMBL26780127 0.79 MAPT (0.72) MAPTPDE2AALDH1A1KDM4ENPC1
SCHEMBL803408 0.76 PDE2A (1.00) MAPTPDE2AALDH1A1KDM4EPOLB
SCHEMBL29401099 0.76 PDE2A (1.00) MAPTPDE2AALDH1A1KDM4EPOLB

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