SCHEMBL8447554

SCHEMBL8447554

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.48
▸ ACE P12821 5/20 0.48
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ EPHX2 P34913 2/20 0.38
▸ CASP1 P29466 1/20 0.37
▸ ITGB3 P05106 3/20 0.37
▸ ITGAV P06756 2/20 0.37
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CTSA P10619 2/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34

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 0.87 MME (0.52) MMEACEHPGDCASP1ITGB3
SCHEMBL8452362 0.85 MME (0.51) MMEACEEPHX2CASP1ITGB3
SCHEMBL8452955 0.85 MME (0.64) MMEACEHPGDEPHX2CASP1
SCHEMBL8452949 0.83 MME (0.54) MMEACEHPGDALDH1A1EPHX2
SCHEMBL8452837 0.82 MME (0.53) MMEACEHPGDEPHX2ITGB3
SCHEMBL8027076 0.81 MME (0.74) MMEACEHPGDKDM4EALDH1A1
SCHEMBL8448709 0.81 MME (0.48) MMEACEITGB3ITGAVCTSA
SCHEMBL8027498 0.78 MME (0.75) MMEACEHPGDKDM4EALDH1A1
SCHEMBL8447752 0.77 MME (0.44) MMEACEALDH1A1CASP1ITGB3
SCHEMBL8017309 0.77 MME (0.59) MMEACE

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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