SCHEMBL4187314

SCHEMBL4187314

NNC(=O)CCC(=O)NN.NNC(=O)CCCCC(=O)NN

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
KDM5C P41229 1/20 0.65
PHF8 Q9UPP1 1/20 0.65
KDM2A Q9Y2K7 1/20 0.65
ALDH1A1 P00352 3/20 0.60
CTSD P07339 1/20 0.57
GAA P10253 1/20 0.56
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL28219205 0.97 ALDH1A1 (0.62) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL49856 0.97 ALDH1A1 (0.62) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL10396767 0.94 ALDH1A1 (0.67) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL9007204 0.94 ALDH1A1 (0.60) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL1630195 0.94 ALDH1A1 (0.60) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL4186692 0.94 ALDH1A1 (0.67) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL466559 0.94 ALDH1A1 (0.67) KDM4EKDM5CPHF8KDM2AALDH1A1
Water SCHEMBL4942958 0.94 ALDH1A1 (0.60) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL6636984 0.94 ALDH1A1 (0.67) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL219713 0.94 ALDH1A1 (0.67) KDM4EKDM5CPHF8KDM2AALDH1A1

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-20090162669-A1 AQUEOUS DISPERSION AND A METHOD FOR APPLYING A COATING BASED ON SUCH A DISPERSION TO A SUBSTRATE TECHNISCHE UNIVERSITY EINDHOVEN (NL) 2009-06-25 US claimed