SCHEMBL8027307

SCHEMBL8027307

Cc1ccc(-c2ccc(C[C@H](NC(=O)N(CC(C)C)CC(O)C(=O)OCc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.74
ACE P12821 11/20 0.74
GPR34 Q9UPC5 5/20 0.46
CPA1 P15085 3/20 0.46
ACE2 Q9BYF1 3/20 0.46
CTSB P07858 1/20 0.44

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
SCHEMBL8027313 1.00 MME (0.74) MMEACEGPR34CPA1ACE2
SCHEMBL8032600 0.96 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8028946 0.96 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8017006 0.96 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8032897 0.96 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8017013 0.96 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8017181 0.93 MME (0.76) MMEACEGPR34CPA1ACE2
SCHEMBL8017173 0.93 MME (0.76) MMEACEGPR34CPA1ACE2
SCHEMBL8027319 0.92 MME (0.72) MMEACECPA1ACE2CTSB
SCHEMBL8027324 0.92 MME (0.72) MMEACECPA1ACE2CTSB

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