SCHEMBL8076722

SCHEMBL8076722

CN(CCCNCCC(O)O)CCCNCCC(O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
PAOX Q6QHF9 2/20 0.36
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM2 P08172 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
SCHEMBL930130 0.87 TDP1 (0.54) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL5911036 0.77 TDP1 (0.44) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL9061539 0.75
SCHEMBL4230818 0.75 TSHR (0.50) PAOXCYP2C19MEN1ALDH1A1KMT2A
SCHEMBL16730591 0.75 TDP1 (0.43) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL8073092 0.75
SCHEMBL8048914 0.73 PAOX (0.48) PAOXCYP2C19MEN1ALDH1A1KMT2A
SCHEMBL9597791 0.73 TDP1 (0.41) TDP1PAOXCYP2C9CYP2C19KDM4E
SCHEMBL30186012 0.73 CHRM2 (0.32) CHRM2
SCHEMBL7517720 0.72 LMNA (0.32) TDP1KDM4EALDH1A1

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
US-6039766-A Cleaning process for dry cleaning NICCA CHEMICAL CO., LTD. (JP) 2000-03-21 US disclosed