SCHEMBL7698097

SCHEMBL7698097

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
LTA4H P09960 6/20 0.55
LAP3 P28838 1/20 0.54
PPARG P37231 4/20 0.53
MAOB P27338 1/20 0.51
PARP10 Q53GL7 1/20 0.51
PPARA Q07869 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
SCHEMBL5743374 0.87 NAMPT (0.62) ALDH1A1LTA4H
SCHEMBL7700701 0.87 NAMPT (0.62) ALDH1A1LTA4H
SCHEMBL27386689 0.84 LTA4H (0.65) LNPEPLTA4HLAP3PPARGPPARA
SCHEMBL11425334 0.84 SLC7A5 (0.57) LNPEP
SCHEMBL7281929 0.83 MMP9 (0.63) LNPEPLTA4HLAP3PPARGMAOB
Hydrochloric Acid SCHEMBL27315039 0.82 MMP9 (0.62) LNPEPLTA4HLAP3PPARGMAOB
Hydrochloric Acid SCHEMBL10350044 0.82 MMP9 (0.62) LNPEPLTA4HLAP3PPARGMAOB
SCHEMBL7698099 0.82 LNPEP (0.59) LNPEPLTA4HLAP3
SCHEMBL288912 0.81 SLC7A5 (0.69) LTA4HLAP3PPARGMAOBPARP10
SCHEMBL515522 0.81 SLC7A5 (0.69) LTA4HLAP3PPARGMAOBPARP10

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