SCHEMBL7085733

SCHEMBL7085733

CSC(SC)=C(C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O)C(=O)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.43
NR1I2 O75469 4/20 0.43
TYK2 P29597 2/20 0.40
CYP3A4 P08684 3/20 0.36
CES2 O00748 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL7085735 0.77 CACNA1B (0.40) CACNA1BNR1I2TYK2CYP3A4CES2
SCHEMBL8673741 0.74 CACNA1B (0.40) CACNA1BNR1I2TYK2CYP3A4CES2
SCHEMBL8673739 0.74 CACNA1B (0.40) CACNA1BNR1I2TYK2CYP3A4CES2
SCHEMBL8193270 0.74 ALDH1A1 (0.41) CYP3A4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6595780 0.74 MEN1 (0.45) CACNA1BNR1I2ALDH1A1LMNA
SCHEMBL26411219 0.73 CACNA1B (0.43) CACNA1BNR1I2TYK2CYP3A4CES2
SCHEMBL1823768 0.73 CACNA1B (0.46) CACNA1BNR1I2TYK2CYP3A4KDM4E
SCHEMBL8848783 0.72 KDM4E (0.49) CACNA1BNR1I2CES2KDM4EALDH1A1
SCHEMBL8650524 0.71 CACNA1B (0.43) CACNA1BNR1I2TYK2CYP3A4CES2
SCHEMBL8650523 0.71 CACNA1B (0.43) CACNA1BNR1I2TYK2CYP3A4CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066270-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-07-30 EP disclosed
US-6255251-B1 CONTROLLING WEEDS SYNGENTA CROP PROTECTION, INC. 2001-07-03 US disclosed
EP-1066270-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES Novartis AG (CH) 2001-01-10 EP disclosed
WO-1999051583-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1999-10-14 WO disclosed