SCHEMBL6209062

SCHEMBL6209062

O=C(O)CC1CCCC(Cl)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FOLH1 Q04609 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGAL P20701 1/20 0.34
ALDH1A1 P00352 3/20 0.34
ACE P12821 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
TBXA2R P21731 2/20 0.31
PTGDR Q13258 2/20 0.31
MDM2 Q00987 2/20 0.30

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
SCHEMBL10642674 0.86 TP53 (0.62) TP53L3MBTL1FOLH1ITGB3ITGB2
SCHEMBL7414681 0.86 TP53 (0.62) TP53L3MBTL1FOLH1ITGB3ITGB2
SCHEMBL10642729 0.77 TP53 (0.56) TP53L3MBTL1FOLH1ITGB3ITGB2
SCHEMBL10639478 0.76 FOLH1 (0.53) TP53L3MBTL1FOLH1ITGB3ITGB2
SCHEMBL3608667 0.74 TP53 (0.51) TP53L3MBTL1FOLH1ITGB3ITGB2
SCHEMBL3604862 0.74 TP53 (0.51) TP53L3MBTL1FOLH1ITGB3ITGB2
SCHEMBL3587342 0.74 TP53 (0.51) TP53L3MBTL1FOLH1ITGB3ITGB2
SCHEMBL3593228 0.74 L3MBTL1 (0.63) TP53L3MBTL1ALDH1A1MAPTTDP1
SCHEMBL3607831 0.73 TP53 (0.50) TP53L3MBTL1FOLH1ITGB3ITGB2
SCHEMBL17964289 0.73 TP53 (0.50) TP53L3MBTL1FOLH1ITGB3ITGB2

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-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO disclosed