SCHEMBL8028702

SCHEMBL8028702

CC(C)CN(C[C@H](O)C(=O)O)C(=O)NC(CC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 14/20 0.61
▸ ACE P12821 9/20 0.61
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8028700 1.00 MME (0.61) MMEACECA2CA4SMN1; SMN2
SCHEMBL8453835 1.00 MME (0.61) MMEACECA2CA4SMN1; SMN2
SCHEMBL8027100 0.88 MME (0.49) MMEACECA2CA4
SCHEMBL8027105 0.88 MME (0.49) MMEACECA2CA4
SCHEMBL8033718 0.81 MME (0.56) MMEACECA2SMN1; SMN2
SCHEMBL8033722 0.81 MME (0.56) MMEACECA2SMN1; SMN2
SCHEMBL8452172 0.79 MME (0.45) MMEACECA2SMN1; SMN2
SCHEMBL8027559 0.78 MME (0.53) MMEACECA2SMN1; SMN2
SCHEMBL8027558 0.78 MME (0.53) MMEACECA2SMN1; SMN2
SCHEMBL8032885 0.78 MME (0.88) MMEACE

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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