SCHEMBL7867052

SCHEMBL7867052

CCOC=C(C(=O)c1ccc(C(F)(F)F)cc1N(C)S(C)(=O)=O)C(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.40
GRM5 P41594 1/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
NR1I2 O75469 1/20 0.33
CACNA1B Q00975 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CCRL2 O00421 1/20 0.32

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
SCHEMBL7554616 0.90 GRM5 (0.42) TYK2GRM5MAPTKDM4ENR1I2
SCHEMBL7554621 0.90 GRM5 (0.42) TYK2GRM5MAPTKDM4ENR1I2
SCHEMBL8140398 0.88 GRM5 (0.41) TYK2GRM5MAPTKDM4ENR1I2
SCHEMBL8140399 0.88 GRM5 (0.41) TYK2GRM5MAPTKDM4ENR1I2
SCHEMBL8754729 0.86 PTGDR2 (0.35) GRM5MAPTPTGDR2
SCHEMBL7552513 0.85 TYK2 (0.38) TYK2MAPTKDM4EALDH1A1GAA
SCHEMBL7552516 0.85 TYK2 (0.38) TYK2MAPTKDM4EALDH1A1GAA
SCHEMBL8673741 0.84 CACNA1B (0.40) TYK2GRM5KDM4ENR1I2CACNA1B
SCHEMBL8673739 0.84 CACNA1B (0.40) TYK2GRM5KDM4ENR1I2CACNA1B
SCHEMBL8492233 0.82 CES2 (0.50) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323155-B1 EXCELLENT LEVEL OF HERBICIDAL ACTIVITY TOGETHER WITH CROP TOLERANCE RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-11-27 US disclosed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP disclosed