SCHEMBL26577346

SCHEMBL26577346

CCCC(=O)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
KMT2A Q03164 5/20 0.60
GLA P06280 3/20 0.60
GAA P10253 3/20 0.60
MAPT P10636 5/20 0.59
PDE2A O00408 1/20 0.58
HPGD P15428 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 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
NPSR1 Q6W5P4 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
PPARG P37231 1/20 0.50

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
SCHEMBL26577348 0.95 MAPT (0.66) ALDH1A1KDM4EKMT2AGLAGAA
SCHEMBL26577339 0.92 ALDH1A1 (0.66) ALDH1A1KDM4EKMT2AGLAGAA
SCHEMBL22076346 0.86 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AGLAGAA
SCHEMBL26780129 0.84 PDE2A (0.65) ALDH1A1KDM4EKMT2AGLAGAA
SCHEMBL26768331 0.82 PDE2A (0.61) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL26577398 0.80 MAPT (0.59) ALDH1A1KDM4EKMT2AGLAGAA
SCHEMBL26780124 0.80 MAPT (0.89) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL29853647 0.80 MAPT (0.89) ALDH1A1KDM4EKMT2AGAAMAPT
SCHEMBL26780127 0.79 MAPT (0.72) ALDH1A1KDM4EKMT2AGLAGAA
SCHEMBL20582005 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AGLAGAA

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