SCHEMBL17304512

SCHEMBL17304512

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.39
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
AOC3 Q16853 1/20 0.32
KDM5C P41229 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL26893756 0.86 CTSD (0.40) CTSDKDM4EALDH1A1KDM5CPHF8
SCHEMBL17304513 0.83 CTSD (0.42) CTSDKDM4EALDH1A1AOC3KDM5C
SCHEMBL12335996 0.81 CTSD (0.46) CTSDKDM4EALDH1A1AOC3KDM5C
SCHEMBL21153141 0.79 CTSD (0.39) CTSDKDM4EALDH1A1AOC3KDM5C
SCHEMBL8079301 0.78 TDP1 (0.38) ALDH1A1
SCHEMBL15146928 0.70 CTSD (0.33) CTSD
SCHEMBL2827132 0.69
SCHEMBL9911976 0.69 CTSD (0.32) CTSD
SCHEMBL12308797 0.68 CTSD (0.37) CTSDKDM4EALDH1A1KDM5CPHF8
SCHEMBL23265399 0.68

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-2015183654-A1 POLYURETHANE-POLYUREA DISPERSIONS COMPRISING HYDRAZINE OR HYDRAZIDE CHAIN EXTENDERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-12-03 WO disclosed