SCHEMBL28032020

SCHEMBL28032020

NCc1ccc(C(=O)O)c(Oc2cc(CN)ccc2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
PLAU P00749 11/20 0.44
PLG P00747 10/20 0.44
PLAT P00750 4/20 0.44
ALDH1A1 P00352 2/20 0.43
CDC25B P30305 1/20 0.42
CASP6 P55212 1/20 0.42
RCE1 Q9Y256 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CFD P00746 1/20 0.40
HTT P42858 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KLKB1 P03952 1/20 0.39
CTSB P07858 1/20 0.39
MMP9 P14780 1/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3B Q9UBC3 1/20 0.39
DNMT3L Q9UJW3 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
SCHEMBL28032017 0.85 CFD (0.51) PLAUPLGALDH1A1CDC25BCASP6
Hydrochloric Acid SCHEMBL8574910 0.82 TSHR (0.47) PPARGPPARAALDH1A1KLKB1
SCHEMBL28032082 0.81 PPARA (0.53) PPARGPPARAALDH1A1CFDHTT
SCHEMBL8444726 0.80 ESR1 (0.40) PPARGPPARAPLAUPLGPLAT
SCHEMBL8442036 0.80 ESR1 (0.40) PPARGPPARAPLAUPLGPLAT
SCHEMBL6451619 0.80 ALDH1A1 (0.52) ALDH1A1CDC25BCASP6RCE1LOXL2
SCHEMBL9349442 0.77 ALDH1A1 (0.53) ALDH1A1CDC25BCASP6RCE1LOXL2
SCHEMBL2845325 0.77 EPHX2 (0.47) PLAUPLGPLATALDH1A1CDC25B
SCHEMBL702567 0.77 ALDH1A1 (0.57) PPARAPLGALDH1A1ESR2KLKB1
SCHEMBL27933277 0.77 ALDH1A1 (0.44) ALDH1A1CDC25BCASP6RCE1LOXL2

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