SCHEMBL9007746

SCHEMBL9007746

O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N(Cc1ccccc1)C[C@H](O)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.77
ACE P12821 13/20 0.77
CPA1 P15085 4/20 0.53
ACE2 Q9BYF1 4/20 0.53
PTPN1 P18031 2/20 0.52

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
SCHEMBL9007742 1.00 MME (0.77) MMEACECPA1ACE2PTPN1
SCHEMBL8030332 0.95 MME (0.68) MMEACEPTPN1
SCHEMBL8030328 0.95 MME (0.68) MMEACEPTPN1
SCHEMBL8028610 0.92 ACE (0.68) MMEACECPA1ACE2
SCHEMBL8017382 0.90 MME (0.63) MMEACECPA1ACE2PTPN1
SCHEMBL8017386 0.90 MME (0.63) MMEACECPA1ACE2PTPN1
SCHEMBL8027312 0.88 ACE (0.61) MMEACEPTPN1
SCHEMBL8032863 0.87 MME (1.00) MMEACECPA1ACE2
SCHEMBL8033719 0.87 MME (1.00) MMEACECPA1ACE2
SCHEMBL8027291 0.87 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed