SCHEMBL4605970

SCHEMBL4605970

CCCCC(NN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 3/20 0.53
CA2 P00918 4/20 0.48
MAPK1 P28482 1/20 0.48
NOD1 Q9Y239 3/20 0.47
CA1 P00915 2/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
ALOX15 P16050 1/20 0.43
MME P08473 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL30545241 1.00 GNPAT (0.53) GNPATCA2MAPK1NOD1CA1
SCHEMBL16948271 0.94 GNPAT (0.51) GNPATNOD1SLC1A2SLC1A1GPR84
SCHEMBL28754574 0.92 GPR84 (0.53) GNPATNOD1SLC1A2SLC1A1GPR84
SCHEMBL27398886 0.86
SCHEMBL6238817 0.82 CA2 (0.52) CA2MAPK1NOD1CA1SLC1A3
SCHEMBL429475 0.80 CA2 (0.50) CA2MAPK1NOD1CA1SLC1A3
SCHEMBL197378 0.80 NOD1 (0.53) CA2MAPK1NOD1CA1SLC1A3
SCHEMBL198715 0.80 NOD1 (0.53) CA2MAPK1NOD1CA1SLC1A3
SCHEMBL197377 0.80 NOD1 (0.53) CA2MAPK1NOD1CA1SLC1A3
SCHEMBL288045 0.80 CA2 (0.50) CA2MAPK1NOD1CA1SLC1A3

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
EP-1404362-B1 SIGNAL-1/SIGNAL-2 BIFUNCTIONAL PEPTIDE INHIBITORS UNIV KANSAS (US) 2008-07-09 EP disclosed