SCHEMBL7060912

SCHEMBL7060912

CSc1c(C(=O)c2c(C(=O)O)noc2C2CC2)ccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMURF2 Q9HAU4 1/20 0.38
SMURF1 Q9HCE7 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.35
NR1H4 Q96RI1 13/20 0.34
FABP1 P07148 2/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL7062537 0.86 ALDH1A1 (0.33) GPBAR1ALDH1A1HPGDPPARGPPARD
SCHEMBL8492682 0.83 SMURF2 (0.40) SMURF2SMURF1GPBAR1NR1H4ALDH1A1
SCHEMBL8822174 0.82 SMURF2 (0.38) SMURF2SMURF1GPBAR1NR1H4FABP1
SCHEMBL8822184 0.81 SMURF2 (0.37) SMURF2SMURF1GPBAR1NR1H4FABP1
SCHEMBL8762864 0.80 SMURF2 (0.38) SMURF2SMURF1GPBAR1NR1H4ALDH1A1
SCHEMBL8391480 0.79 ALDH1A1 (0.34) GPBAR1NR1H4ALDH1A1HPGDNPSR1
SCHEMBL8762928 0.78 SMURF2 (0.36) SMURF2SMURF1GPBAR1NR1H4HPGD
SCHEMBL8822166 0.78 NR1H4 (0.31) GPBAR1NR1H4
SCHEMBL8492504 0.77 DHODH (0.35) ALDH1A1HPGDCASP3RAB9ASMN1; SMN2
SCHEMBL27789070 0.76 SMURF2 (0.40) SMURF2SMURF1GPBAR1NR1H4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124421-B1 NOVEL HERBICIDE COMPOSITIONS BASED ON GLYPHOSATES AND ISOXAZOLES BAYER CROPSCIENCE SA (FR) 2003-05-21 EP claimed
EP-1124421-A1 NOVEL HERBICIDE COMPOSITIONS BASED ON GLYPHOSATES AND ISOXAZOLES AVENTIS CROPSCIENCE S.A. (FR) 2001-08-22 EP claimed
WO-2000025584-A1 NOVEL HERBICIDE COMPOSITIONS BASED ON GLYPHOSATES AND ISOXAZOLES AVENTIS CROPSCIENCE S.A. (FR) 2000-05-11 WO claimed
EP-0560482-B1 4-Benzoyl isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-08-06 EP claimed
EP-1124421-B1 NOVEL HERBICIDE COMPOSITIONS BASED ON GLYPHOSATES AND ISOXAZOLES BAYER CROPSCIENCE SA (FR) 2003-05-21 EP disclosed
EP-1124421-A1 NOVEL HERBICIDE COMPOSITIONS BASED ON GLYPHOSATES AND ISOXAZOLES AVENTIS CROPSCIENCE S.A. (FR) 2001-08-22 EP disclosed
WO-2000025584-A1 NOVEL HERBICIDE COMPOSITIONS BASED ON GLYPHOSATES AND ISOXAZOLES AVENTIS CROPSCIENCE S.A. (FR) 2000-05-11 WO disclosed