SCHEMBL8027105

SCHEMBL8027105

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.49
▸ ACE P12821 8/20 0.49
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ SUCNR1 Q9BXA5 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8027100 1.00 MME (0.49) MMEACECA2CA4SUCNR1
SCHEMBL8453835 0.88 MME (0.61) MMEACECA2CA4
SCHEMBL8028702 0.88 MME (0.61) MMEACECA2CA4
SCHEMBL8028700 0.88 MME (0.61) MMEACECA2CA4
SCHEMBL27464505 0.83 MME (0.44) MMEACECA2ALDH1A1KDM4E
SCHEMBL8027302 0.83 MME (0.44) MMEACECA2ALDH1A1KDM4E
SCHEMBL8027297 0.83 MME (0.44) MMEACECA2ALDH1A1KDM4E
SCHEMBL8451445 0.82 MME (0.36) MMEACEALDH1A1KDM4EHSD17B10
SCHEMBL8026913 0.81 MME (0.43) MMEACEALDH1A1
SCHEMBL8026918 0.81 MME (0.43) MMEACEALDH1A1

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
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