SCHEMBL8033722

SCHEMBL8033722

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.56
▸ ACE P12821 9/20 0.56
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ LPAR1 Q92633 1/20 0.33
▸ FAAH O00519 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
SCHEMBL8033718 1.00 MME (0.56) MMEACECA12CA1CA2
SCHEMBL8027297 0.86 MME (0.44) MMEACECA12CA1CA2
SCHEMBL8027302 0.86 MME (0.44) MMEACECA12CA1CA2
SCHEMBL27464505 0.86 MME (0.44) MMEACECA12CA1CA2
SCHEMBL8027559 0.83 MME (0.53) MMEACECA12CA1CA2
SCHEMBL8027558 0.83 MME (0.53) MMEACECA12CA1CA2
SCHEMBL8453835 0.81 MME (0.61) MMEACECA2SMN1; SMN2
SCHEMBL8028702 0.81 MME (0.61) MMEACECA2SMN1; SMN2
SCHEMBL8028700 0.81 MME (0.61) MMEACECA2SMN1; SMN2
SCHEMBL8030181 0.76 MME (0.61) 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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