SCHEMBL7822835

SCHEMBL7822835

O=C(O)CC(NC(=O)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
GAA P10253 1/20 0.67
UTS2R Q9UKP6 12/20 0.65
CTSA P10619 3/20 0.58
CYP26A1 O43174 1/20 0.57
SUCNR1 Q9BXA5 2/20 0.56
ITGB3 P05106 1/20 0.54
ITGAV P06756 1/20 0.54
ITGA2B P08514 1/20 0.54

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
SCHEMBL3717471 0.89 MEN1 (0.61) KDM4EGAACTSACYP26A1ITGB3
SCHEMBL5027698 0.89 MEN1 (0.61) KDM4EGAACTSACYP26A1ITGB3
SCHEMBL22995641 0.89 MEN1 (0.61) KDM4EGAACTSACYP26A1ITGB3
SCHEMBL27761114 0.86 CTSA (0.62) UTS2RCTSASUCNR1
SCHEMBL21274965 0.85 PRNP (0.60) GAACTSAITGB3ITGAVITGA2B
SCHEMBL3522683 0.84 UTS2R (0.72) KDM4EGAAUTS2RCYP26A1
SCHEMBL27670347 0.84 KDM4E (0.54) KDM4EGAAUTS2RCYP26A1
SCHEMBL5927389 0.82 UTS2R (0.63) KDM4EGAAUTS2RCTSACYP26A1
SCHEMBL29142726 0.81 UTS2R (0.64) KDM4EGAAUTS2R
SCHEMBL7591232 0.80 NPC1 (0.54) ITGB3

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed