SCHEMBL4600244

SCHEMBL4600244

Cc1ccc(NC(=O)[C@H](CCCCN)NC(=O)Nc2ccc(C=Cc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLG P00747 1/20 0.48
MMP2 P08253 2/20 0.45
SSTR3 P32745 1/20 0.45
EGFR P00533 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
KLKB1 P03952 1/20 0.44
EHMT2 Q96KQ7 2/20 0.44
CASR P41180 1/20 0.42
PDF Q9HBH1 1/20 0.42
LTA4H P09960 1/20 0.41
CALCRL Q16602 1/20 0.41
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40

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
SCHEMBL4738732 0.87 CA1 (0.51) PLGMMP2MMP9
SCHEMBL4738722 0.87 CA1 (0.51) PLGMMP2MMP9
SCHEMBL4738726 0.87 CA1 (0.51) PLGMMP2MMP9
SCHEMBL7419417 0.84 ANPEP (0.49) PLGKLKB1PDF
SCHEMBL14111113 0.82 LTA4H (0.66) NPC1RAB9ASMN1; SMN2SSTR3LTA4H
SCHEMBL4599805 0.77 FPR2 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2MMP2
SCHEMBL4599812 0.77 FPR2 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2MMP2
SCHEMBL4599798 0.77 FPR2 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2MMP2
SCHEMBL13684815 0.77 SSTR3 (0.56) SMN1; SMN2PLGMMP2SSTR3MMP1
Hydrochloric Acid SCHEMBL7036448 0.77 SSTR3 (0.51) PLGMMP2SSTR3MMP1LTA4H

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
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed