SCHEMBL8027331

SCHEMBL8027331

CCOC(=O)C(O)CN(CC(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 19/20 0.82
ACE P12821 15/20 0.82
ACE2 Q9BYF1 7/20 0.50
CPA1 P15085 6/20 0.50

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
SCHEMBL8027335 1.00 MME (0.82) MMEACEACE2CPA1
SCHEMBL8017273 0.95 MME (0.72) MMEACEACE2CPA1
SCHEMBL8017270 0.95 MME (0.72) MMEACEACE2CPA1
SCHEMBL8026891 0.93 MME (0.80) MMEACEACE2CPA1
SCHEMBL8448663 0.93 MME (0.80) MMEACEACE2CPA1
SCHEMBL8026896 0.93 MME (0.80) MMEACEACE2CPA1
SCHEMBL8018081 0.92 MME (0.71) MMEACEACE2CPA1
SCHEMBL8032932 0.91 MME (0.69) MMEACEACE2CPA1
SCHEMBL8032929 0.91 MME (0.69) MMEACEACE2CPA1
SCHEMBL8032600 0.91 MME (0.80) MMEACEACE2CPA1

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