SCHEMBL29346388

SCHEMBL29346388

NCCOCCOCCOCCOCCC(=O)NN

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.43
CTSD P07339 1/20 0.43
KDM5C P41229 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL18588233 1.00 GAA (0.48) GAAKDM4ECTSDKDM5CPHF8
SCHEMBL24533284 0.98 GAA (0.50) GAAKDM4ECTSDKDM5CPHF8
SCHEMBL4414727 0.91 GAA (0.55) GAAKDM4ECTSDKDM5CPHF8
SCHEMBL4409987 0.91 GAA (0.55) GAAKDM4ECTSDKDM5CPHF8
SCHEMBL4409617 0.89 GAA (0.57) GAAKDM4ECTSDKDM5CPHF8
SCHEMBL4411666 0.82 GAA (0.62) GAAKDM4ECTSDKDM5CPHF8
SCHEMBL4412014 0.82 GAA (0.68) GAAKDM4ECTSDKDM5CPHF8
SCHEMBL15010517 0.81 GAA (0.47) GAAKDM4ECTSDKDM5CPHF8
SCHEMBL762258 0.81 LMNA (0.40) GAALMNAPOLB
SCHEMBL20801430 0.81 LMNA (0.40) GAALMNAPOLB

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-2024151890-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-07-18 WO disclosed