SCHEMBL14520481

SCHEMBL14520481

CC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.53
MME P08473 6/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
FOLH1 Q04609 1/20 0.51
TSHR P16473 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL24558040 0.97 ACE (0.51) ACEMMECPA1ACE2FOLH1
SCHEMBL15044546 0.89 ACE (0.63) ACEMMECPA1ACE2FOLH1
SCHEMBL7616915 0.87 MME (0.68) ACEMMECPA1ACE2FOLH1
SCHEMBL25827830 0.87 ACE (0.53) ACEMMECPA1ACE2FOLH1
SCHEMBL6465852 0.87 MME (0.68) ACEMMECPA1ACE2FOLH1
SCHEMBL23306918 0.86 ACE (0.50) ACEMMECPA1ACE2FOLH1
SCHEMBL23306958 0.86 ACE (0.49) ACEMMECPA1ACE2FOLH1
SCHEMBL25139715 0.86 MMP1 (0.57) ACEMMECPA1ACE2FOLH1
SCHEMBL2735966 0.86 ACE (0.52) ACEMMECPA1ACE2FOLH1
SCHEMBL17323639 0.85 MMP2 (0.55) ACEMMECPA1ACE2

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-20070087447-A1 System and method of free radical initiated protein sequencing CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-04-19 US disclosed
US-20070087447-A1 System and method of free radical initiated protein sequencing CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-04-19 US disclosed