SCHEMBL9404671

SCHEMBL9404671

CCOC(=O)CCNC(=O)CCCOc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MMP3 P08254 3/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
LTA4H P09960 3/20 0.49
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
HPGD P15428 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 1/20 0.47
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6328916 0.87 MAPT (0.55) MAPTSMN1; SMN2MMP3HDAC1HDAC2
SCHEMBL1285386 0.83 MMP2 (0.61) MAPTMMP3HDAC1HDAC2LTA4H
SCHEMBL1285929 0.83 MMP2 (0.61) MAPTMMP3HDAC1HDAC2LTA4H
SCHEMBL7301892 0.83 MMP3 (0.57) MAPTSMN1; SMN2MMP3HDAC1HDAC2
SCHEMBL15970987 0.83 MMP2 (0.59) MAPTMMP3HDAC1HDAC2LTA4H
4-Cyanophenol SCHEMBL8993981 0.82 CYSLTR2 (0.51) MAPTMMP3HDAC1HDAC2LTA4H
SCHEMBL6336869 0.82 HDAC1 (0.58) MAPTSMN1; SMN2MMP3HDAC1HDAC2
SCHEMBL5522757 0.82 HDAC1 (0.58) MAPTSMN1; SMN2MMP3HDAC1HDAC2
SCHEMBL7717980 0.80 PPARD (0.51) MAPTSMN1; SMN2MMP3HDAC1HDAC2
SCHEMBL7717978 0.80 PPARD (0.51) MAPTSMN1; SMN2MMP3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6279389-A None JP disclosed
JP-H06279389-A AMIDINOPHENYL ETHER DERIVATIVE TERUMO CORP 1994-10-04 JP disclosed