SCHEMBL8027155

SCHEMBL8027155

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

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.79
ACE P12821 13/20 0.79
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
PTPN1 P18031 1/20 0.43
TACR1 P25103 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
SCHEMBL8027560 0.94 MME (0.80) MMEACECTSBCTSSCTSK
SCHEMBL8027132 0.93 MME (0.68) MMEACECTSBCTSSCTSK
SCHEMBL8017233 0.89 MME (0.68) MMEACEPSEN1PSEN2APH1B
SCHEMBL8447827 0.89 MME (0.81) MMEACECTSBCTSSCPA1
SCHEMBL8027565 0.89 MME (0.81) MMEACECTSBCTSSCPA1
SCHEMBL8027115 0.89 MME (0.77) MMEACECTSSCTSKACE2
SCHEMBL6440665 0.88 MME (1.00) MMEACECPA1ACE2
SCHEMBL8027151 0.88 MME (1.00) MMEACECPA1ACE2
SCHEMBL8033744 0.88 MME (1.00) MMEACECPA1ACE2
SCHEMBL8032890 0.88 MME (1.00) MMEACECPA1ACE2

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