SCHEMBL27852469

SCHEMBL27852469

CC(O)C(NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.53
▸ ACE P12821 4/20 0.53
▸ CPA1 P15085 3/20 0.53
▸ ACE2 Q9BYF1 3/20 0.53
▸ MMP2 P08253 1/20 0.52
▸ MMP7 P09237 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP12 P39900 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ CTSC P53634 2/20 0.51
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 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
SCHEMBL27852467 1.00 MME (0.53) MMEACECPA1ACE2MMP2
SCHEMBL29658158 0.94 MME (0.50) MMEACECPA1ACE2MMP2
SCHEMBL30054155 0.91 MME (0.56) MMEACECPA1ACE2CTSC
SCHEMBL30051579 0.91 MME (0.55) MMEACECPA1ACE2MMP2
SCHEMBL30055181 0.91 MME (0.49) MMEACECPA1ACE2CTSC
SCHEMBL30880912 0.91 CTSB (0.52) MMEACECPA1ACE2MMP2
SCHEMBL29517104 0.90 ACE (0.55) MMEACECPA1ACE2
SCHEMBL31064821 0.89 BACE1 (0.51) MMEACECPA1ACE2
SCHEMBL30051541 0.88 ACE (0.64) MMEACECPA1ACE2
SCHEMBL8021459 0.87 MME (0.57) MMEACECPA1ACE2MMP2

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
CN-101511364-B Combination treatment for diabetes mellitus NYCOMED GMBH 2012-08-15 — — CN disclosed
CN-101137368-B Roflumilast for the treatment of diabetes NYCOMED GMBH 2012-05-16 — — CN disclosed
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