SCHEMBL7698190

SCHEMBL7698190

CNCC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.59
LAP3 P28838 1/20 0.55
PPARG P37231 3/20 0.53
LNPEP Q9UIQ6 3/20 0.53
MAOB P27338 2/20 0.52
PPARA Q07869 2/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51

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
SCHEMBL19465132 0.86 SLC15A1 (0.60) LTA4H
SCHEMBL7694204 0.86 SLC15A1 (0.60) LTA4H
SCHEMBL7281929 0.84 MMP9 (0.63) LTA4HLAP3PPARGLNPEPMAOB
SCHEMBL14559932 0.84 LTA4H (0.64) LTA4HLAP3PPARGLNPEPMAOB
SCHEMBL2603686 0.84 LTA4H (0.64) LTA4HLAP3PPARGLNPEPMAOB
SCHEMBL17484675 0.84 LTA4H (0.64) LTA4HLAP3PPARGLNPEPMAOB
Hydrochloric Acid SCHEMBL10350044 0.83 MMP9 (0.62) LTA4HLAP3PPARGLNPEPMAOB
Hydrochloric Acid SCHEMBL27315039 0.83 MMP9 (0.62) LTA4HLAP3PPARGLNPEPMAOB
SCHEMBL7921142 0.83 LTA4H (0.74) LTA4HLAP3PPARGLNPEPMAOB
SCHEMBL6162332 0.83 LTA4H (0.74) LTA4HLAP3PPARGLNPEPMAOB

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
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO claimed