SCHEMBL26577348

SCHEMBL26577348

CCCC(=O)Oc1ccc2c(c1)c(=O)oc1cc(O)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
PDE2A O00408 1/20 0.58
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 5/20 0.57
GLA P06280 4/20 0.57
GAA P10253 4/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
PKLR P30613 1/20 0.52
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.51
STAT1 P42224 1/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 3/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
HSD17B10 Q99714 3/20 0.50
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL26577346 0.95 ALDH1A1 (0.60) MAPTPDE2AALDH1A1KDM4EGLA
SCHEMBL26577339 0.92 ALDH1A1 (0.66) MAPTPDE2AALDH1A1KDM4EGLA
SCHEMBL26780127 0.84 MAPT (0.72) MAPTPDE2AALDH1A1KDM4EGLA
SCHEMBL22076346 0.84 ALDH1A1 (0.62) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL805441 0.82 MAPT (0.69) MAPTPDE2AALDH1A1KDM4EGAA
SCHEMBL31412886 0.80 MAPT (0.66) MAPTPDE2AALDH1A1KDM4EGLA
SCHEMBL26577404 0.80 MAPT (0.66) MAPTPDE2AALDH1A1KDM4EGLA
SCHEMBL26766685 0.80 MAPT (0.66) MAPTPDE2AALDH1A1KDM4EGLA
SCHEMBL29853434 0.80 MAPT (1.00) MAPTPDE2AALDH1A1KDM4EKMT2A
SCHEMBL803412 0.80 MAPT (1.00) MAPTPDE2AALDH1A1KDM4EKMT2A

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