Sugi Predict

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SCHEMBL8017386

SCHEMBL8017386

O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N(Cc1ccccc1)C[C@H](O)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 10/20 0.63
▸ ACE P12821 9/20 0.63
▸ GPR34 Q9UPC5 5/20 0.48
▸ CPA1 P15085 2/20 0.48
▸ ACE2 Q9BYF1 2/20 0.48
▸ PTPN1 P18031 1/20 0.47

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
SCHEMBL8017382 1.00 MME (0.63) MMEACEGPR34CPA1ACE2
SCHEMBL27446254 0.94 ACE (0.55) MMEACEGPR34
SCHEMBL8027149 0.92 ACE (0.58) MMEACEGPR34CPA1ACE2
SCHEMBL9007746 0.90 MME (0.77) MMEACECPA1ACE2PTPN1
SCHEMBL9007742 0.90 MME (0.77) MMEACECPA1ACE2PTPN1
SCHEMBL8017006 0.89 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8032600 0.89 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8017013 0.89 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8028946 0.89 MME (0.80) MMEACEGPR34CPA1ACE2
SCHEMBL8032897 0.89 MME (0.80) MMEACEGPR34CPA1ACE2

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