SCHEMBL8452362

SCHEMBL8452362

CC(C)CN(CC(O)C(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.51
▸ ACE P12821 5/20 0.51
▸ CASP1 P29466 6/20 0.49
▸ EPHX2 P34913 2/20 0.40
▸ ITGB3 P05106 2/20 0.40
▸ ITGAV P06756 2/20 0.40
▸ CTSB P07858 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL8448381 0.90 MME (0.52) MMEACECASP1ITGB3ITGAV
SCHEMBL8452955 0.88 MME (0.64) MMEACECASP1EPHX2ITGB3
SCHEMBL8454342 0.88 CASP1 (0.50) CASP1EPHX2ITGB3ITGAVCTSB
SCHEMBL8447813 0.87 CASP1 (0.49) CASP1EPHX2ITGB3ITGAVMETAP2
SCHEMBL8454177 0.87 MME (0.43) MMEACECTSB
SCHEMBL8452949 0.86 MME (0.54) MMEACECASP1EPHX2ITGB3
SCHEMBL8447554 0.85 MME (0.48) MMEACECASP1EPHX2ITGB3
SCHEMBL8452837 0.85 MME (0.53) MMEACEEPHX2ITGB3ITGAV
SCHEMBL8447608 0.85 MME (0.47) MMEACECASP1CTSB
SCHEMBL8448709 0.84 MME (0.48) MMEACEITGB3ITGAV

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-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
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