SCHEMBL8032875

SCHEMBL8032875

COc1cccc(C[C@H](NC(=O)N(CC(C)C)CC(O)C(=O)O)C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.71
ACE P12821 13/20 0.71
PTGES O14684 2/20 0.49
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 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
SCHEMBL8032883 1.00 MME (0.71) MMEACEPTGESCPA1ACE2
SCHEMBL8033742 0.92 MME (0.61) MMEACEPTGESCPA1ACE2
SCHEMBL27504890 0.92 MME (0.61) MMEACEPTGESCPA1ACE2
SCHEMBL8033738 0.92 MME (0.61) MMEACEPTGESCPA1ACE2
SCHEMBL8017601 0.89 MME (0.79) MMEACE
SCHEMBL8032597 0.87 MME (0.77) MMEACE
SCHEMBL8032604 0.87 MME (0.77) MMEACE
SCHEMBL8032885 0.85 MME (0.88) MMEACECPA1ACE2
SCHEMBL8027170 0.85 MME (0.88) MMEACECPA1ACE2
SCHEMBL8032876 0.85 MME (0.88) 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