SCHEMBL7085735

SCHEMBL7085735

CCSC=C(C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O)C(=O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.40
NR1I2 O75469 3/20 0.40
TYK2 P29597 2/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GRM5 P41594 1/20 0.33
CES2 O00748 1/20 0.33
CYP3A4 P08684 1/20 0.33
CCR2 P41597 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
SCHEMBL8673741 0.84 CACNA1B (0.40) CACNA1BNR1I2TYK2LMNASMN1; SMN2
SCHEMBL8673739 0.84 CACNA1B (0.40) CACNA1BNR1I2TYK2LMNASMN1; SMN2
SCHEMBL7085733 0.77 CACNA1B (0.43) CACNA1BNR1I2TYK2LMNASMN1; SMN2
SCHEMBL6430159 0.74 LMNA (0.38) LMNA
SCHEMBL1823768 0.72 CACNA1B (0.46) CACNA1BNR1I2TYK2KDM4EGRM5
SCHEMBL26411219 0.70 CACNA1B (0.43) CACNA1BNR1I2TYK2KDM4ECES2
SCHEMBL16116142 0.69 NPSR1 (0.46) CACNA1BNR1I2KDM4ECES2
SCHEMBL8491501 0.69 HTT (0.37) TYK2SMN1; SMN2
SCHEMBL8492452 0.69 HTT (0.37) TYK2SMN1; SMN2
SCHEMBL8848783 0.69 KDM4E (0.49) CACNA1BNR1I2KDM4ECES2

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