SCHEMBL7396643

SCHEMBL7396643

O=C(O)CC1C[C]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGB2 P05107 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGAL P20701 1/20 0.41
SLC6A12 P48065 7/20 0.36
SLC6A11 P48066 6/20 0.36
SLC6A13 Q9NSD5 6/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 1/20 0.33
GABRA5 P31644 6/20 0.31
GABRB2 P47870 6/20 0.31

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
SCHEMBL8631434 0.72 ITGB1 (0.48) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL4288132 0.72
SCHEMBL10642729 0.67 TP53 (0.56) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL8149190 0.64 ITGB1 (0.41) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL273409 0.64 ITGB1 (0.41) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL4979634 0.64 ITGB1 (0.50) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL10642674 0.63 TP53 (0.62) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL7414681 0.63 TP53 (0.62) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL6271481 0.63 ITGB1 (0.39) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL11042273 0.63 ITGB3 (0.39) ITGB3ITGB2ITGB1ITGAVITGA2B

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-1189873-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS Lilly, S.A. (ES) 2002-03-27 EP disclosed
WO-2000075101-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS LILLY, S.A. (ES) 2000-12-14 WO disclosed