SCHEMBL7567446

SCHEMBL7567446

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.62
ACE P12821 8/20 0.62
ITGA4 P13612 9/20 0.46
ITGB1 P05556 7/20 0.46
ITGB7 P26010 5/20 0.46
LPAR1 Q92633 1/20 0.44
CPA1 P15085 2/20 0.43
ACE2 Q9BYF1 2/20 0.43

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
SCHEMBL7567451 1.00 MME (0.62) MMEACEITGA4ITGB1ITGB7
SCHEMBL7566362 0.94 MME (0.59) MMEACEITGA4ITGB1ITGB7
SCHEMBL7566370 0.94 MME (0.59) MMEACEITGA4ITGB1ITGB7
SCHEMBL7565186 0.94 MME (0.63) MMEACEITGA4ITGB1ITGB7
SCHEMBL7565183 0.94 MME (0.63) MMEACEITGA4ITGB1ITGB7
SCHEMBL8447089 0.91 MME (0.51) MMEACEITGA4ITGB1ITGB7
SCHEMBL27504886 0.90 MME (0.74) MMEACEITGA4ITGB1ITGB7
SCHEMBL8017298 0.90 MME (0.74) MMEACEITGA4ITGB1ITGB7
SCHEMBL8017294 0.90 MME (0.74) MMEACEITGA4ITGB1ITGB7
SCHEMBL8452247 0.87 MME (0.54) MMEACEITGA4ITGB1ITGB7

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