SCHEMBL17304513

SCHEMBL17304513

CC(C)(CC(=O)NN)CC(C)(C)CC(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.42
KDM4E B2RXH2 3/20 0.37
KDM5C P41229 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
AOC3 Q16853 1/20 0.33
AOC2 O75106 1/20 0.32
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
KDM5A P29375 1/20 0.31
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL21153141 0.91 CTSD (0.39) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL17304512 0.83 CTSD (0.39) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL12335996 0.83 CTSD (0.46) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL2827132 0.79
SCHEMBL12308797 0.78 CTSD (0.37) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL23265399 0.77
SCHEMBL27335059 0.76 CTSD (0.35) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL443668 0.75
SCHEMBL22203520 0.73 CTSD (0.41) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL9007188 0.73 CTSD (0.41) CTSDKDM4EKDM5CPHF8KDM2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015200014-A2 POLYURETHANE AEROSOL COMPOSITIONS, ARTICLES, AND RELATED METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-12-30 WO disclosed
WO-2015188067-A1 POLYURETHANE LAMINATING ADHESIVE COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-12-10 WO disclosed
WO-2015183654-A1 POLYURETHANE-POLYUREA DISPERSIONS COMPRISING HYDRAZINE OR HYDRAZIDE CHAIN EXTENDERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-12-03 WO disclosed