SCHEMBL8452172

SCHEMBL8452172

CC(C)CN(CC(O)C(=O)O)C(=O)NCC(C)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.45
▸ ACE P12821 6/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL8451445 0.85 MME (0.36) MMEACECYP2D6CYP2C19
SCHEMBL8452153 0.80 MME (0.46) MMEACECA12CA1CA2
SCHEMBL8028702 0.79 MME (0.61) MMEACESMN1; SMN2CA2
SCHEMBL8028700 0.79 MME (0.61) MMEACESMN1; SMN2CA2
SCHEMBL8453835 0.79 MME (0.61) MMEACESMN1; SMN2CA2
SCHEMBL8033722 0.74 MME (0.56) MMEACESMN1; SMN2CA12CA1
SCHEMBL8033718 0.74 MME (0.56) MMEACESMN1; SMN2CA12CA1
SCHEMBL27750762 0.74 CYP2D6 (0.50) CA12CA1CA2CA9CYP2D6
SCHEMBL8030358 0.72 MME (0.43) MMEACESMN1; SMN2
SCHEMBL8030354 0.72 MME (0.43) MMEACESMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
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