SCHEMBL8762848

SCHEMBL8762848

COc1c(S(C)(=O)=O)ccc(C(=O)c2c(C(=O)O)noc2C2CC2)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.35
SMURF2 Q9HAU4 1/20 0.33
SMURF1 Q9HCE7 1/20 0.33
SLC6A9 P48067 2/20 0.31
KCNH2 Q12809 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
HTR2B P41595 1/20 0.30

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
SCHEMBL8762928 0.89 SMURF2 (0.36) NR1H4SMURF2SMURF1GPBAR1
SCHEMBL8492769 0.88 POLB (0.35) NR1H4
SCHEMBL6595822 0.85 NR1H4 (0.32) NR1H4SLC6A9GPBAR1HTR2B
SCHEMBL8762913 0.82 SMURF2 (0.38) NR1H4SMURF2SMURF1GPBAR1
SCHEMBL8588447 0.80 NR1H4 (0.33) NR1H4
SCHEMBL8493465 0.80 SLC6A9 (0.35) SLC6A9KCNH2HTR2B
SCHEMBL8822174 0.80 SMURF2 (0.38) NR1H4SMURF2SMURF1GPBAR1
SCHEMBL8763780 0.79 BCAT2 (0.39) SMURF2SMURF1GPBAR1
SCHEMBL8492955 0.78 ALDH1A1 (0.36)
SCHEMBL8607786 0.78 STAT3 (0.45)

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-0487357-B1 4 Benzoyl isoxazole derivatives RHONE POULENC AGRICULTURE (GB) 1997-07-02 EP claimed