SCHEMBL8017170

SCHEMBL8017170

CN(CC(O)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.61
ACE P12821 9/20 0.61
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
TACR1 P25103 1/20 0.51
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
PTPN1 P18031 2/20 0.48
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
PIN1 Q13526 3/20 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
SCHEMBL27464503 0.95 TACR1 (0.57) MMEACECTSLCTSBCTSS
SCHEMBL8028778 0.92 MME (0.52) MMEACECPA1ACE2
SCHEMBL8027264 0.89 ACE (0.74) MMEACECPA1ACE2MMP9
SCHEMBL8027188 0.89 ACE (0.67) MMEACECTSLCTSBCTSS
SCHEMBL8030684 0.88 MME (0.62) MMEACECTSLCTSBCTSS
SCHEMBL7569398 0.88 MME (0.53) MMEACECTSLCTSBCTSS
SCHEMBL7569388 0.88 MME (0.53) MMEACECTSLCTSBCTSS
SCHEMBL8028772 0.87 MME (0.58) MMEACECPA1ACE2
SCHEMBL8028768 0.87 MME (0.58) MMEACECPA1ACE2
SCHEMBL27444764 0.87 HDAC1 (0.50) MMEACECTSLCTSBCTSS

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