SCHEMBL11038008

SCHEMBL11038008

C[C@H](NC(=S)Nc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.53
▸ LMNA P02545 1/20 0.50
▸ ITGB3 P05106 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ITGA4 P13612 1/20 0.48
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ PREP P48147 1/20 0.47
▸ FAP Q12884 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ACE2 Q9BYF1 4/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10653350 0.96 ACE (0.50) ACELMNAITGB3ITGB1ITGAV
SCHEMBL10656626 0.84 ACE (0.52) ACELMNAITGB3ITGB1ITGAV
SCHEMBL3472243 0.83 ACE (0.60) ACELMNAITGB3ITGB1ITGAV
SCHEMBL11435575 0.81 ACE (0.71) ACEPREPFAPACE2
SCHEMBL3472327 0.81 ACE (0.71) ACEPREPFAPACE2
SCHEMBL29749309 0.81 ACE (0.71) ACEPREPFAPACE2
Arginine SCHEMBL10654662 0.80 ACE (0.43) ACELMNAACE2SMN1; SMN2
SCHEMBL18586364 0.79 ELANE (0.61) ACEITGB3ITGB1ITGAVITGA5
SCHEMBL20484667 0.79 ELANE (0.61) ACEITGB3ITGB1ITGAVITGA5
SCHEMBL11104635 0.78 ACE (0.55) ACELMNAPREPFAPKMT2A

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
JP-59206343-A — — None — — JP disclosed
JP-S59206343-A PROLINE DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1984-11-22 — — JP disclosed
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