SCHEMBL31662446

SCHEMBL31662446

CN1C(=O)C(=O)c2cc(C(=O)O)c(Oc3ccc(OCCOC4CCOCC4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RCE1 Q9Y256 1/20 0.35
CHRM5 P08912 2/20 0.35
PRKAB2 O43741 3/20 0.35
PRKAG1 P54619 3/20 0.35
PRKAA2 P54646 3/20 0.35
PRKAA1 Q13131 3/20 0.35
PRKAG3 Q9UGI9 3/20 0.35
PRKAG2 Q9UGJ0 3/20 0.35
PRKAB1 Q9Y478 3/20 0.35
CASP3 P42574 2/20 0.35
CASP7 P55210 2/20 0.35
MIF P14174 1/20 0.34

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
SCHEMBL31662418 0.92 PARP1 (0.35) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL31662399 0.91 CASP3 (0.39) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL31662428 0.78 DHODH (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31662238 0.76 CYP1A2 (0.33) ALDH1A1MAPTKMT2APOLBLMNA
SCHEMBL31662475 0.76 GCK (0.34) MIFKDM4EDHODH
SCHEMBL31662331 0.73 DHODH (0.36) MIFDHODH
SCHEMBL17899132 0.72 MAPT (0.41) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL17931463 0.72 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL31662332 0.72 MIF (0.34) KMT2AMEN1SMN1; SMN2PRKAB2PRKAG1
SCHEMBL31661945 0.70 LRRK2 (0.36) ALDH1A1KDM4E

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed