SCHEMBL28032583

SCHEMBL28032583

NCc1cccc(C(=O)O)c1Oc1c(CN)cccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.54
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FOLH1 Q04609 2/20 0.42
ALOX15 P16050 1/20 0.41
G6PD P11413 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
MMP2 P08253 1/20 0.40
CLCN2 P51788 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL38654814 0.83 HMGB1 (0.43) HMGB1ALDH1A1KDM4EMAPK1HPGD
SCHEMBL28032046 0.83 CLCN2 (0.51) HMGB1ALDH1A1KDM4EMAPK1HPGD
SCHEMBL28324262 0.78 FOLH1 (0.59) HMGB1ALDH1A1KDM4EHPGDFOLH1
Benzene SCHEMBL8597142 0.78 FOLH1 (0.59) HMGB1ALDH1A1KDM4EHPGDFOLH1
SCHEMBL136079 0.78 FOLH1 (0.59) HMGB1ALDH1A1KDM4EHPGDFOLH1
SCHEMBL20592284 0.77 HMGB1 (0.53) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3842248 0.77 HMGB1 (0.73) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18586471 0.77 HMGB1 (0.53) HMGB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5965437 0.77 G6PD (0.57) HMGB1ALDH1A1FOLH1ALOX15G6PD
Hydrochloric Acid SCHEMBL20641021 0.76 FOLH1 (0.57) HMGB1ALDH1A1KDM4EHPGDFOLH1

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