SCHEMBL4780586

SCHEMBL4780586

CCCC(=O)NC(C)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.48
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FAAH O00519 4/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
DNM1 Q05193 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
PSMB5 P28074 1/20 0.38
PRSS1 P07477 1/20 0.37

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
SCHEMBL21887785 1.00 CTSD (0.48) CTSDHDAC3HDAC1HDAC2HDAC8
SCHEMBL16658608 0.88 FAAH (0.55) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL5983514 0.86 FAAH (0.63) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL9666212 0.86 FAAH (0.63) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL9666241 0.84 FAAH (0.67) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL9666209 0.84 FAAH (0.67) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL9664202 0.84 FAAH (0.67) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL21587875 0.84 FAAH (0.67) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL9665588 0.84 FAAH (0.67) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL7519265 0.84 FAAH (0.67) FAAHMEN1MAPK1KMT2ASMN1; SMN2

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-2008045671-A1 MATRIX METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-17 WO disclosed