SCHEMBL28487478

SCHEMBL28487478

Cc1cc(O)c(C(C)C(=O)O)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.46
CYP2C9 P11712 3/20 0.46
TP53 P04637 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM1 Q13255 1/20 0.37
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1245063 0.80 LMNA (0.55) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL3833416 0.80 PTGS1 (0.47) ALOX15CYP2C9CYP2C19CYP2D6PTGS1
SCHEMBL11315634 0.80 ALOX15 (0.50) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL6659562 0.80 ALOX15 (0.41) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL692694 0.79 ALOX15 (0.54) ALOX15CYP2C9TP53CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL11337214 0.79 ALOX15 (0.49) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL18272131 0.75 ALOX15 (0.44) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL18262858 0.75 ALOX15 (0.44) ALOX15CYP2C9TP53CYP2C19CYP2D6
Alcohol SCHEMBL9765954 0.75 ALOX15 (0.51) ALOX15CYP2C9TP53CYP2C19CYP2D6
SCHEMBL490376 0.74 PTGS2 (0.51) ALOX15CYP2C9PTGS1PTGS2ALDH1A1

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-107250192-B Viscoelastic polyurethane flexible foam material based on polyether carbonate polyols 科思创德国股份有限公司 2020-10-30 CN disclosed