SCHEMBL10799072

SCHEMBL10799072

C[C@H](N)C(=O)N1CC2(C[C@H]1C(=O)O)OCCO2

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.38
DPP4 P27487 8/20 0.36
DPP8 Q6V1X1 6/20 0.36
DPP9 Q86TI2 6/20 0.36
MMP2 P08253 6/20 0.36
FAP Q12884 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
PREP P48147 1/20 0.34
ANPEP P15144 2/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL11268639 0.82 ACE (0.51) ACE
SCHEMBL11268645 0.82 ACE (0.51) ACE
SCHEMBL11214390 0.81 ACE (0.38) ACE
SCHEMBL11214388 0.81 ACE (0.38) ACE
SCHEMBL25367563 0.79 MMP2 (0.39) MMP2ANPEP
SCHEMBL25367568 0.79 MMP2 (0.39) MMP2ANPEP
SCHEMBL10795543 0.78 MMP2 (0.34) ACEMMP2ANPEP
SCHEMBL11258866 0.78 ACE (0.39) ACEMMP2
SCHEMBL11258881 0.78 ACE (0.39) ACEMMP2
SCHEMBL15586366 0.77 MMP2 (0.38) DPP4DPP8DPP9MMP2HDAC8

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-4684660-A Mercaptoacyldepeptides E. R. SQUIBB & SONS, INC. (US) 1987-08-04 US disclosed