SCHEMBL25754015

SCHEMBL25754015

O=C(CCCC1=CC(=O)c2ccccc2C1=O)NCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
CNR2 P34972 2/20 0.40
CYP19A1 P11511 1/20 0.40
CDC25A P30304 1/20 0.40
S100A4 P26447 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL25754024 0.84 CDC25A (0.43) LMNAPKMMALT1CYP19A1CDC25A
SCHEMBL21939613 0.84 TRPV1 (0.50) ALDH1A1GAALMNAPKMMALT1
SCHEMBL13649360 0.80 S100A4 (0.50) ALDH1A1KDM4EGAALMNAPKM
SCHEMBL30692083 0.79 CDC25A (0.54) PKMCYP19A1CDC25AS100A4L3MBTL1
SCHEMBL21878874 0.79 CDC25A (0.54) PKMCYP19A1CDC25AS100A4L3MBTL1
SCHEMBL25754017 0.78 PTPRC (0.48) LMNAPKMMALT1CYP19A1CDC25A
SCHEMBL9709418 0.77 PTPN1 (0.54) ALDH1A1GAALMNAPKMCYP19A1
SCHEMBL128020 0.76 S100A4 (0.53) ALDH1A1KDM4EGAALMNAPKM
SCHEMBL30673380 0.76 S100A4 (0.53) ALDH1A1KDM4EGAALMNAPKM
SCHEMBL25753887 0.76 HDAC2 (0.49) ALDH1A1HTTKDM4EGAALMNA

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
EP-3615502-B1 THERAPEUTIC COMPOUNDS AND METHODS UNIV TASMANIA (AU) 2023-06-21 EP disclosed