SCHEMBL28032046

SCHEMBL28032046

CCc1cccc(C(=O)O)c1Oc1c(CC)cccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.51
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HMGB1 P09429 1/20 0.47
MAPK1 P28482 1/20 0.47
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALOX15 P16050 1/20 0.43
FOLH1 Q04609 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 1/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39

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
SCHEMBL8954755 0.90 CLCN2 (0.50) CLCN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1648373 0.87 MRGPRX4 (0.55) CLCN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30597481 0.85 CLCN2 (0.49) CLCN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1003309 0.85 CLCN2 (0.49) CLCN2ALDH1A1KDM4EHPGDHSD17B10
Bicarbonate SCHEMBL5184188 0.84 CLCN2 (0.47) CLCN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5176423 0.84 KDM4E (0.65) CLCN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28032583 0.83 HMGB1 (0.54) CLCN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5708143 0.82 CLCN2 (0.46) CLCN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14332597 0.82 CLCN2 (0.46) CLCN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12813146 0.81 CLCN2 (0.45) CLCN2ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104968704-B Process for producing polyarylate 三菱瓦斯化学株式会社 2016-12-14 CN disclosed
CN-104968704-A Process for producing polyarylate MITSUBISHI GAS CHEMICAL CO 2015-10-07 CN disclosed