SCHEMBL9730271

SCHEMBL9730271

CC(=O)C(S)C(=O)NC(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.53
MME P08473 7/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
RAB9A P51151 1/20 0.40

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
SCHEMBL10588631 0.79 ACE (0.59) ACEMMECPA1ACE2
SCHEMBL6468859 0.79 ACE (0.59) ACEMMECPA1ACE2
SCHEMBL21375005 0.79 ACE (0.59) ACEMMECPA1ACE2
SCHEMBL10555236 0.79 MME (0.34) ACEMMECPA1ACE2
SCHEMBL7362168 0.74 MME (0.52) ACEMMECPA1ACE2RAB9A
SCHEMBL7725288 0.74 MME (0.52) ACEMMECPA1ACE2RAB9A
SCHEMBL9652457 0.74 MME (0.52) ACEMMECPA1ACE2RAB9A
SCHEMBL21030512 0.73 MME (0.47) ACEMMECPA1ACE2RAB9A
SCHEMBL22342125 0.73 MME (0.47) ACEMMECPA1ACE2RAB9A
SCHEMBL8927997 0.73 MME (0.47) ACEMMECPA1ACE2RAB9A

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-5082930-A Diagnosis, tumors MALLINCKRODT MEDICAL, INC. (US) 1992-01-21 US disclosed