SCHEMBL9856908

SCHEMBL9856908

COc1ccccc1C(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.59
CNR2 P34972 10/20 0.57
POLB P06746 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
CNR1 P21554 6/20 0.55
CYP2C9 P11712 1/20 0.52
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51

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
SCHEMBL29658169 0.85 CTSD (0.62) CNR2HTT
SCHEMBL322168 0.85 CTSD (0.62) CNR2HTT
SCHEMBL27789892 0.83 CTSD (0.60) CDC25BCNR2HTT
SCHEMBL244802 0.83 CDC25B (0.80) CDC25BCNR2HTTCNR1NR4A1
SCHEMBL29414437 0.83 CDC25B (0.80) CDC25BCNR2HTTCNR1NR4A1
SCHEMBL20968075 0.83 CNR2 (0.52) CDC25BCNR2POLBALDH1A1HTT
SCHEMBL2682420 0.83 CNR2 (0.52) CDC25BCNR2POLBALDH1A1HTT
SCHEMBL383152 0.82 POLB (0.51) CNR2POLBALDH1A1HTTNR4A1
SCHEMBL16538476 0.82 CDC25B (0.64) CDC25BCNR2CNR1CYP2C9KMT2A
SCHEMBL5989871 0.81 CDC25B (0.56) CDC25BCNR2POLBCNR1CYP2C9

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
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed