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SCHEMBL8033705

SCHEMBL8033705

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 15/20 1.00
▸ ACE P12821 12/20 1.00
▸ FOLH1 Q04609 1/20 0.56
▸ CPA1 P15085 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ NAALAD2 Q9Y3Q0 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
SCHEMBL8033709 1.00 MME (1.00) MMEACEFOLH1CPA1ACE2
SCHEMBL8028774 0.96 MME (0.93) MMEACEFOLH1CPA1ACE2
SCHEMBL8028765 0.96 MME (0.93) MMEACEFOLH1CPA1ACE2
SCHEMBL8027556 0.90 MME (0.82) MMEACEFOLH1
SCHEMBL8027553 0.90 MME (0.82) MMEACEFOLH1
SCHEMBL8027170 0.90 MME (0.88) MMEACECPA1ACE2
SCHEMBL8032885 0.90 MME (0.88) MMEACECPA1ACE2
SCHEMBL8032876 0.90 MME (0.88) MMEACECPA1ACE2
SCHEMBL8032839 0.90 MME (0.81) MMEACEFOLH1CPA1ACE2
SCHEMBL8032844 0.90 MME (0.81) MMEACEFOLH1CPA1ACE2

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