SCHEMBL10697334

SCHEMBL10697334

CCCCCCCCCCOc1ccc(C(=O)c2ccccc2C(=O)OC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
TP53 P04637 2/20 0.55
PLA2G4B P0C869 5/20 0.53
PLK1 P53350 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
RARB P10826 3/20 0.51
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
PLA2G4A P47712 1/20 0.49
GAA P10253 1/20 0.49
PTPN11 Q06124 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
Acetic Acid SCHEMBL10697330 0.85 TP53 (0.65) TSHRTP53PLA2G4BPLK1RARB
SCHEMBL27934133 0.83 TP53 (0.66) TSHRTP53PLA2G4BPLK1RARB
SCHEMBL12755362 0.82 TP53 (0.60) TSHRTP53PLA2G4BPLK1RARB
SCHEMBL12755345 0.82 TP53 (0.60) TSHRTP53PLA2G4BPLK1RARB
SCHEMBL4226893 0.82 TP53 (0.60) TSHRTP53PLA2G4BPLK1RARB
SCHEMBL10697087 0.81 TP53 (0.53) TSHRTP53PLA2G4BLMNARARB
SCHEMBL10695219 0.81 TP53 (0.53) TSHRTP53PLA2G4BLMNARARB
SCHEMBL534753 0.80 TP53 (0.73) TSHRTP53PLA2G4BLMNARARB
SCHEMBL7921632 0.80 TP53 (0.73) TSHRTP53PLA2G4BLMNARARB
SCHEMBL534947 0.80 TP53 (0.73) TSHRTP53PLA2G4BLMNARARB

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
EP-0276064-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 EP disclosed