SCHEMBL8522752

SCHEMBL8522752

COc1ccccc1OC(=O)C(Cc1ccc(-c2cccc3ccccc23)cc1)NC(=O)N(CC(C)C)CC(O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.59
ACE P12821 12/20 0.59
ITGA4 P13612 5/20 0.41
ITGB7 P26010 3/20 0.41
ITGB1 P05556 3/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 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
SCHEMBL8027260 1.00 MME (0.59) MMEACEITGA4ITGB7ITGB1
SCHEMBL8027091 0.94 MME (0.60) MMEACEITGA4ITGB7ITGB1
SCHEMBL8027670 0.90 MME (0.73) MMEACEITGA4ITGB7ITGB1
SCHEMBL8452763 0.90 MME (0.73) MMEACEITGA4ITGB7ITGB1
SCHEMBL8027674 0.90 MME (0.73) MMEACEITGA4ITGB7ITGB1
SCHEMBL9007741 0.88 MME (0.64) MMEACEPPARGPPARA
SCHEMBL8447804 0.88 MME (0.64) MMEACEPPARGPPARA
SCHEMBL8027420 0.87 MME (0.77) MMEACEPPARGPPARA
SCHEMBL8028033 0.87 MME (0.64) MMEACE
SCHEMBL8028028 0.87 MME (0.64) 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