SCHEMBL13714744

SCHEMBL13714744

CCNC(=O)NCCCCCCNC(=O)Nc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 12/20 0.58
EPHX1 P07099 4/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
ADRB3 P13945 1/20 0.51
DHODH Q02127 1/20 0.50
EPHX2 P34913 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL13714615 0.91 DHODH (0.57) GHSRDHODH
SCHEMBL14429911 0.90 GHSR (0.70) GHSREPHX1ALDH1A1HTTADRB3
SCHEMBL11592875 0.90 DHODH (0.56) GHSRDHODH
SCHEMBL11596260 0.87 GHSR (0.63) GHSREPHX1ALDH1A1HTTADRB3
SCHEMBL13724331 0.82 GHSR (0.51) GHSREPHX1ALDH1A1HTTEPHX2
SCHEMBL2237869 0.79 TIMP3 (0.55) GHSR
SCHEMBL6074124 0.79 GHSR (0.67) GHSREPHX1ALDH1A1HTTADRB3
SCHEMBL8788507 0.79 CA2 (0.70) GHSREPHX1ALDH1A1HTTADRB3
SCHEMBL7095018 0.79 GHSR (0.67) GHSREPHX1ALDH1A1HTTADRB3
SCHEMBL11034317 0.78 EPHX1 (0.84) GHSREPHX1ALDH1A1HTTEPHX2

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-7579339-B2 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-25 US disclosed
US-7579339-B2 Ring-substituted diphenylazetidinones, process for their preparation, medicaments comprising these compounds, and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-25 US disclosed