SCHEMBL8017294

SCHEMBL8017294

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

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.74
ACE P12821 11/20 0.74
ITGA4 P13612 6/20 0.48
ITGB7 P26010 6/20 0.48
ITGB1 P05556 3/20 0.48
CPA1 P15085 3/20 0.46
ACE2 Q9BYF1 3/20 0.46
LPAR1 Q92633 1/20 0.46

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
SCHEMBL8017298 1.00 MME (0.74) MMEACEITGA4ITGB7ITGB1
SCHEMBL27504886 1.00 MME (0.74) MMEACEITGA4ITGB7ITGB1
SCHEMBL9007758 0.95 MME (0.66) MMEACEITGA4ITGB7ITGB1
SCHEMBL9007760 0.95 MME (0.66) MMEACEITGA4ITGB7ITGB1
SCHEMBL8028927 0.95 MME (0.66) MMEACEITGA4ITGB7ITGB1
SCHEMBL8028923 0.95 MME (0.66) MMEACEITGA4ITGB7ITGB1
SCHEMBL8452763 0.93 MME (0.73) MMEACEITGA4ITGB7ITGB1
SCHEMBL8027670 0.93 MME (0.73) MMEACEITGA4ITGB7ITGB1
SCHEMBL8027674 0.93 MME (0.73) MMEACEITGA4ITGB7ITGB1
SCHEMBL8016959 0.93 MME (0.66) 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-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 EP disclosed
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 CN disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed