SCHEMBL27296808

SCHEMBL27296808

CCOC(=O)C(C)c1cccc(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.59
PTGS1 P23219 6/20 0.59
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
CXCR1 P25024 2/20 0.54
CXCR2 P25025 2/20 0.54
HPGD P15428 2/20 0.54
CYP3A4 P08684 2/20 0.54
RECQL P46063 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
PMP22 Q01453 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CXCL8 P10145 1/20 0.54
THPO P40225 1/20 0.54
HIF1A Q16665 1/20 0.54
HTT P42858 3/20 0.47

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
SCHEMBL30436399 0.89 PTGS2 (0.74) PTGS2PTGS1MAPTALDH1A1SMN1; SMN2
SCHEMBL9555892 0.89 PTGS2 (0.74) PTGS2PTGS1MAPTALDH1A1SMN1; SMN2
Dimethylamine SCHEMBL3834248 0.85 PTGS2 (0.72) PTGS2PTGS1MAPTALDH1A1SMN1; SMN2
SCHEMBL27294829 0.82 PTGS1 (0.79) PTGS2PTGS1MAPTALDH1A1SMN1; SMN2
SCHEMBL13194421 0.82 LMNA (0.46) PTGS2PTGS1MAPTSMN1; SMN2LMNA
SCHEMBL28672809 0.80 PTGS1 (0.52) PTGS2PTGS1MAPTALDH1A1SMN1; SMN2
SCHEMBL21908445 0.78 PTGS2 (0.70) PTGS2PTGS1MAPTALDH1A1SMN1; SMN2
SCHEMBL11857185 0.78 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL3146962 0.78 PTGS2 (0.50) PTGS2PTGS1MAPTALDH1A1SMN1; SMN2
SCHEMBL20079537 0.77 PTGS2 (0.78) PTGS2PTGS1MAPTALDH1A1SMN1; SMN2

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
CN-1037176-C Benzenealkanoic acids for cardiovascular diseases PFIZER RES & DEV (IE) 1998-01-28 CN disclosed