SCHEMBL8029478

SCHEMBL8029478

CN(CC(O)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.59
ACE P12821 4/20 0.59
TACR1 P25103 1/20 0.52
HRH4 Q9H3N8 1/20 0.50
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MMP9 P14780 2/20 0.46
CASP1 P29466 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
METAP2 P50579 1/20 0.41
CASP3 P42574 1/20 0.41
PSMB5 P28074 1/20 0.41
REN P00797 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL27547830 0.96 TACR1 (0.57) MMEACETACR1HRH4CPA1
SCHEMBL8017737 0.89 ACE (0.64) MMEACETACR1HRH4CPA1
SCHEMBL8032846 0.88 ACE (0.74) MMEACETACR1HRH4CPA1
SCHEMBL8028696 0.88 MME (0.60) MMEACETACR1HRH4CPA1
SCHEMBL8027391 0.87 MME (0.80) MMEACETACR1HRH4CPA1
SCHEMBL27446785 0.87 MME (0.80) MMEACETACR1HRH4CPA1
SCHEMBL8027428 0.87 ACE (0.47) MMEACEMEN1KMT2A
SCHEMBL27445689 0.85 ACE (0.58) MMEACETACR1HRH4MMP9
SCHEMBL27444751 0.84 MME (0.55) MMEACETACR1HRH4CPA1
SCHEMBL8017170 0.84 MME (0.61) MMEACETACR1CPA1ACE2

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