SCHEMBL7567284

SCHEMBL7567284

COc1ccccc1OC(=O)CCN(CC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.63
ACE P12821 8/20 0.63
ITGA4 P13612 7/20 0.49
ITGB7 P26010 7/20 0.49
ITGB1 P05556 3/20 0.49
LPAR1 Q92633 1/20 0.48
CPA1 P15085 3/20 0.47
ACE2 Q9BYF1 3/20 0.47
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
FPR2 P25090 1/20 0.44

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
SCHEMBL8451844 0.90 MME (0.51) MMEACEITGA4ITGB7ITGB1
SCHEMBL7573798 0.90 MME (0.71) MMEACEITGA4ITGB7ITGB1
SCHEMBL8449930 0.88 MME (0.55) MMEACEITGA4ITGB7ITGB1
SCHEMBL27504886 0.87 MME (0.74) MMEACEITGA4ITGB7ITGB1
SCHEMBL8017294 0.87 MME (0.74) MMEACEITGA4ITGB7ITGB1
SCHEMBL8017298 0.87 MME (0.74) MMEACEITGA4ITGB7ITGB1
SCHEMBL8452240 0.87 MME (0.50) MMEACEITGA4ITGB7ITGB1
SCHEMBL7568446 0.87 MME (0.59) MMEACEITGA4ITGB7ITGB1
SCHEMBL7566049 0.87 MME (0.69) MMEACECPA1ACE2
SCHEMBL7565183 0.86 MME (0.63) MMEACEITGA4ITGB7ITGB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed