SCHEMBL11042273

SCHEMBL11042273

CC1CC(=O)C(CC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGB2 P05107 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGAL P20701 1/20 0.39
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SLC6A12 P48065 3/20 0.34
SLC6A11 P48066 3/20 0.34
SLC6A13 Q9NSD5 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12646231 0.82 TLR4 (0.31) TLR4
SCHEMBL8631434 0.78 ITGB1 (0.48) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL17898489 0.76 ITGB3 (0.36) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL6440187 0.74
SCHEMBL2684077 0.69 MME (0.36) ALDH1A1POLBMAPTTSHR
SCHEMBL7533138 0.69 PTGS1 (0.33) ALDH1A1MAPTTP53L3MBTL1
SCHEMBL14582880 0.68 DDB1 (0.42) ALDH1A1POLBMAPTL3MBTL1HSD11B1
SCHEMBL7622428 0.68 MEN1 (0.34) ALDH1A1MAPTTP53L3MBTL1TLR4
SCHEMBL7619973 0.68 FAAH (0.34) ALDH1A1
SCHEMBL21648233 0.67 TSHR (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430507-A 4-Methyl-2-oxo-cyclopentaneacetic acid prostaglandin intermediates HOFFMANN-LA ROCHE INC. (US) 1984-02-07 US disclosed