SCHEMBL8028772

SCHEMBL8028772

CN(C[C@H](O)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.58
ACE P12821 10/20 0.58
ACE2 Q9BYF1 9/20 0.49
CPA1 P15085 7/20 0.49
ITGB3 P05106 2/20 0.48
ITGAV P06756 1/20 0.48
GPR34 Q9UPC5 2/20 0.47
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
ITGA2B P08514 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL8028768 1.00 MME (0.58) MMEACEACE2CPA1ITGB3
SCHEMBL27446786 0.94 ACE (0.51) MMEACE
SCHEMBL8028778 0.92 MME (0.52) MMEACEACE2CPA1ITGB3
SCHEMBL8027428 0.88 ACE (0.47) MMEACEITGB3ITGAVITGB1
SCHEMBL8027310 0.88 MME (0.72) MMEACEACE2CPA1
SCHEMBL8027314 0.88 MME (0.72) MMEACEACE2CPA1
SCHEMBL8017382 0.88 MME (0.63) MMEACEACE2CPA1GPR34
SCHEMBL8017386 0.88 MME (0.63) MMEACEACE2CPA1GPR34
SCHEMBL8017170 0.87 MME (0.61) MMEACEACE2CPA1
SCHEMBL8017182 0.87 MME (0.59) MMEACEACE2CPA1ITGB3

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 2 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
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed