SCHEMBL9079648

SCHEMBL9079648

CCC(C)CNC(=O)c1cc(NCC(=O)O)cc(C(=O)NCC(C)CC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
NAMPT P43490 3/20 0.42
PDE10A Q9Y233 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
CTSL P07711 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN13 Q12923 1/20 0.33

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
SCHEMBL4580800 0.85 NAMPT (0.40) HSD17B10GAAKMT2ANAMPTPDE10A
SCHEMBL13350424 0.84 GAA (0.55) HSD17B10GAAKMT2ANAMPTPDE10A
SCHEMBL4582006 0.82 GAA (0.46) HSD17B10GAAKMT2ANAMPTPDE10A
SCHEMBL13044612 0.75 ATM (0.48) HSD17B10GAAKMT2ANAMPTPDE10A
SCHEMBL17865782 0.74 NAMPT (0.58) HSD17B10GAAKMT2ANAMPTHPGD
SCHEMBL9168713 0.74 NAAA (0.57) KMT2AALDH1A1MEN1
SCHEMBL4581387 0.74 NAMPT (0.43) HSD17B10KMT2ANAMPTKDM4EALDH1A1
SCHEMBL799425 0.73 NAMPT (0.58) HSD17B10GAAKMT2ANAMPTHPGD
SCHEMBL19349021 0.73 NAMPT (0.58) HSD17B10GAAKMT2ANAMPTHPGD
SCHEMBL4582716 0.71 MGLL (0.48)

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
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 US disclosed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 WO disclosed