SCHEMBL8631434

SCHEMBL8631434

O=C(O)CC1CC(=O)C(CC(=O)O)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.48
ITGA5 P08648 2/20 0.48
ITGB3 P05106 1/20 0.48
ITGB2 P05107 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA2B P08514 1/20 0.48
ITGB5 P18084 1/20 0.48
ITGAL P20701 1/20 0.48
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A12 P48065 6/20 0.37
SLC6A11 P48066 5/20 0.37
SLC6A13 Q9NSD5 5/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8149190 0.80 ITGB1 (0.41) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL11042273 0.78 ITGB3 (0.39) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL8129944 0.77 ITGB1 (0.47) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL8405724 0.75 FOLH1 (0.48) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL14318654 0.75 FOLH1 (0.48) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL17898489 0.74 ITGB3 (0.36) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL4288132 0.74
SCHEMBL10642729 0.74 TP53 (0.56) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL8173776 0.72 ANPEP (0.47) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL7396643 0.72 ITGB3 (0.41) ITGB1ITGA5ITGB3ITGB2ITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567651-B1 PROCESS FOR PREPARING PIGMENT FROM 2,9-DIMETHYLQUINACRIDONE COMPOUND TOYO INK MFG CO (JP) 1998-06-24 EP disclosed
US-5318626-A Pouring sulfuric acid solution of compound into flowing water to form fine precipitate, filtering, washing with water, adding to lower alcohol, heating TOYO INK MANUFACTURING CO., LTD. (JP) 1994-06-07 US disclosed
EP-0567651-A1 PROCESS FOR PREPARING PIGMENT FROM 2,9-DIMETHYLQUINACRIDONE COMPOUND TOYO INK MANUFACTURING CO., LTD. (JP) 1993-11-03 EP disclosed