SCHEMBL8030485

SCHEMBL8030485

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 16/20 1.00
ACE P12821 14/20 1.00
CPA1 P15085 2/20 0.54
ACE2 Q9BYF1 2/20 0.54
PIN1 Q13526 2/20 0.48

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
SCHEMBL6440665 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8033744 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL6440662 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8032890 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8027151 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8018079 1.00 MME (1.00) MMEACECPA1ACE2PIN1
SCHEMBL8029483 0.93 MME (0.86) MMEACECPA1ACE2
SCHEMBL8027652 0.93 MME (0.86) MMEACECPA1ACE2PIN1
SCHEMBL8448452 0.93 MME (0.86) MMEACECPA1ACE2
SCHEMBL8027300 0.92 MME (0.85) 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