SCHEMBL28797356

SCHEMBL28797356

O=Cc1cc(-c2ccc(C(=O)O)cc2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
ALPL P05186 8/20 0.49
CA12 O43570 4/20 0.49
RPA1 P27694 1/20 0.47
TP53 P04637 1/20 0.47
MAP2K4 P45985 4/20 0.46
MAPK1 P28482 2/20 0.46
MAPK6 Q16659 2/20 0.46
MAPKAPK3 Q16644 1/20 0.46
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
ERN1 O75460 1/20 0.45
CA9 Q16790 3/20 0.44
RARB P10826 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL27851623 0.84 MAP2K4 (0.51) HCAR2TP53MAP2K4MAPK1MAPK6
SCHEMBL1869857 0.80 POLB (0.57) HCAR2TP53ALDH1A1KDM4E
SCHEMBL14814661 0.77 CA12 (0.56) ALPLCA12RPA1TP53MAPK1
SCHEMBL21051917 0.75 MKNK1 (0.45) HCAR2TP53ERN1ALDH1A1
SCHEMBL3847288 0.74 ALPL (0.40) HCAR2ALPLCA12RPA1TP53
SCHEMBL2888170 0.73 MAPT (0.63) ALPLTP53MAPK1CA9ALDH1A1
SCHEMBL3393351 0.73 TDP1 (0.52) HCAR2ALPLTP53MAPK1ALDH1A1
SCHEMBL2826440 0.73 SNCA (0.48) TP53MAPK1KDM4E
SCHEMBL17948808 0.73 CCNA2 (0.60) HCAR2
SCHEMBL26094483 0.73 CA12 (0.63) ALPLCA12RPA1MAP2K4MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102405080-A Keratin dyeing compositions comprising radical scavengers and chelating agents and uses thereof PROCTER & GAMBLE 2012-04-04 CN claimed
CN-105853246-B Keratin dyeing compositions and application thereof comprising free radical scavenger and chelating agent 诺赛尔股份有限公司 2019-07-26 CN disclosed
CN-105853246-A Keratin dyeing compositions comprising radical scavenger and chelant and use thereof 宝洁公司 2016-08-17 CN disclosed
CN-102405080-A Keratin dyeing compositions comprising radical scavengers and chelating agents and uses thereof PROCTER & GAMBLE 2012-04-04 CN disclosed