SCHEMBL28032017

SCHEMBL28032017

NCc1ccc(Oc2ccc(CN)cc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.51
FOLH1 Q04609 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CDC25B P30305 1/20 0.46
CASP6 P55212 1/20 0.46
RCE1 Q9Y256 1/20 0.46
PLAU P00749 2/20 0.44
KLKB1 P03952 1/20 0.43
CTSB P07858 1/20 0.43
MMP9 P14780 1/20 0.43
DNMT1 P26358 1/20 0.43
DNMT3B Q9UBC3 1/20 0.43
DNMT3L Q9UJW3 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MRGPRX4 Q96LA9 2/20 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
SCHEMBL28032020 0.85 PPARG (0.45) CFDALDH1A1CDC25BCASP6RCE1
SCHEMBL27630209 0.84 CFD (0.55) CFDFOLH1ALDH1A1CDC25BCASP6
SCHEMBL28032097 0.81 CFD (0.56) CFDFOLH1ALDH1A1POLBKDM4E
SCHEMBL8815955 0.80 KLKB1 (0.51) CFDFOLH1ALDH1A1CDC25BCASP6
SCHEMBL6451619 0.80 ALDH1A1 (0.52) CFDFOLH1ALDH1A1CDC25BCASP6
SCHEMBL23877804 0.79 ALDH1A1 (0.47) CFDFOLH1ALDH1A1CDC25BCASP6
SCHEMBL14408666 0.77 CFD (0.59) CFDFOLH1ALDH1A1CDC25BCASP6
Trifluoroacetic Acid SCHEMBL3571573 0.77 CSNK2A1 (0.51) CFDFOLH1CSNK2A1PTPN1PTPN6
SCHEMBL14080949 0.77 ALDH1A1 (0.75) CFDFOLH1ALDH1A1CDC25BCASP6
SCHEMBL20719957 0.77 ALDH1A1 (0.48) CFDFOLH1ALDH1A1CDC25BCASP6

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-104968704-A Process for producing polyarylate MITSUBISHI GAS CHEMICAL CO 2015-10-07 CN disclosed