SCHEMBL8822174

SCHEMBL8822174

CS(=O)(=O)c1c(C(=O)c2c(C(=O)O)noc2C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMURF2 Q9HAU4 1/20 0.38
SMURF1 Q9HCE7 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.34
NR1H4 Q96RI1 16/20 0.33
LMNA P02545 1/20 0.32
FABP1 P07148 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
SCHEMBL8494843 0.86 NPC1 (0.38) NR1H4
SCHEMBL8762928 0.84 SMURF2 (0.36) SMURF2SMURF1GPBAR1NR1H4
SCHEMBL8762846 0.83 LMNA (0.42) SMURF2SMURF1NR1H4LMNA
SCHEMBL7060912 0.82 SMURF2 (0.38) SMURF2SMURF1GPBAR1NR1H4FABP1
SCHEMBL8762913 0.81 SMURF2 (0.38) SMURF2SMURF1GPBAR1NR1H4
SCHEMBL8822184 0.80 SMURF2 (0.37) SMURF2SMURF1GPBAR1NR1H4FABP1
SCHEMBL8588447 0.80 NR1H4 (0.33) NR1H4
SCHEMBL8762848 0.80 NR1H4 (0.35) SMURF2SMURF1GPBAR1NR1H4
SCHEMBL8822199 0.79 NPC1 (0.34) GPBAR1NR1H4
SCHEMBL8763780 0.78 BCAT2 (0.39) SMURF2SMURF1GPBAR1LMNA

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-0560482-B1 4-Benzoyl isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-08-06 EP claimed