SCHEMBL5025980

SCHEMBL5025980

NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 13/20 0.51
ACE2 Q9BYF1 9/20 0.51
LTA4H P09960 2/20 0.51
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
TSHR P16473 1/20 0.48

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
SCHEMBL5025982 1.00 ACE (0.51) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL5030820 0.93 ACE (0.53) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL5030837 0.93 ACE (0.53) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL5030497 0.93 ACE (0.54) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL5030487 0.93 ACE (0.54) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL11060360 0.87 LTA4H (0.61) ACEACE2LTA4HTSHR
SCHEMBL31454710 0.87 OPRM1 (0.49) ACEACE2OPRM1OPRD1
SCHEMBL5026882 0.86 ACE (0.54) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL5026890 0.86 ACE (0.54) ACEACE2LTA4HOPRM1OPRD1
SCHEMBL30165330 0.85 ACE (0.57) ACEACE2LTA4HTSHR

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
US-7329802-B1 Genetic engineering of cotton to increase fiber strength, water absorption and dye binding AUBURN UNIVERSITY 2008-02-12 US disclosed