SCHEMBL8453402

SCHEMBL8453402

CC(C)CN(CC(O)C(N)=O)C(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.47
▸ ACE P12821 6/20 0.47
▸ ITGB3 P05106 4/20 0.41
▸ ITGA2B P08514 4/20 0.41
▸ ITGAV P06756 2/20 0.41
▸ ITGB5 P18084 1/20 0.41
▸ ITGB6 P18564 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP26A1 O43174 1/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL8456179 0.93 MME (0.47) MMEACEAOC3ALDH1A1LMNA
SCHEMBL8447368 0.90 MME (0.58) MMEACEITGB3ITGA2BITGAV
SCHEMBL8455768 0.88 MME (0.53) MMEACEAOC3POLB
SCHEMBL8448596 0.87 MME (0.47) MMEACESMN1; SMN2CYP26A1ALDH1A1
SCHEMBL8452086 0.86 MME (0.46) MMEACESMN1; SMN2CYP26A1ALDH1A1
SCHEMBL8447608 0.84 MME (0.47) MMEACESMN1; SMN2
SCHEMBL8452949 0.84 MME (0.54) MMEACEITGB3ITGA2BITGAV
SCHEMBL8447380 0.84 POLB (0.47) MMEACESMN1; SMN2ALDH1A1POLB
SCHEMBL8452366 0.83 MME (0.46) MMEACEITGB3ITGA2BITGAV
SCHEMBL8448437 0.81 MME (0.63) MMEACESMN1; SMN2CYP26A1

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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