SCHEMBL8027205

SCHEMBL8027205

CCOC(=O)[C@@H](O)CN(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.51
ACE P12821 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MMP8 P22894 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
LMNA P02545 1/20 0.45
LPAR1 Q92633 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FPR2 P25090 1/20 0.44
PTPN1 P18031 1/20 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
SCHEMBL8027201 1.00 MME (0.51) MMEACEL3MBTL1MMP8PSMB1
SCHEMBL27442620 0.94 TP53 (0.48) MMEACEMMP8PSMB1PSMB5
SCHEMBL8033727 0.89 MME (0.62) MMEACEL3MBTL1PSMB1PSMB5
SCHEMBL8033733 0.89 MME (0.62) MMEACEL3MBTL1PSMB1PSMB5
SCHEMBL8017424 0.88 MME (0.57) MMEACEL3MBTL1LPAR1PTPN1
SCHEMBL8017421 0.88 MME (0.57) MMEACEL3MBTL1LPAR1PTPN1
SCHEMBL8028768 0.86 MME (0.58) MMEACECPA1ACE2
SCHEMBL8028772 0.86 MME (0.58) MMEACECPA1ACE2
SCHEMBL8017258 0.86 MME (0.52) MMEACEL3MBTL1MMP8CPA1
SCHEMBL8017263 0.86 MME (0.52) MMEACEL3MBTL1MMP8CPA1

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