SCHEMBL8747756

SCHEMBL8747756

COC(=O)c1ccc(C(F)(F)F)cc1CN(C)S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.53
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CETP P11597 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6129283 0.85 KDM4E (0.51) MAPTKDM4EMRGPRX4GAAPTGDR2
SCHEMBL5833791 0.83 CFTR (0.61) CFTRMAPTKDM4EPOLBMRGPRX4
SCHEMBL8747754 0.83 KMT2A (0.43) MAPTKDM4EPOLBKMT2ASLC6A4
SCHEMBL25085889 0.81 CFTR (0.65) CFTRMAPTKDM4EMRGPRX4KMT2A
SCHEMBL8748143 0.80 POLB (0.50) MAPTKDM4EPOLBKMT2AALDH1A1
SCHEMBL8747769 0.80 KMT2A (0.43) MAPTKDM4EPOLBKMT2AGAA
SCHEMBL7554661 0.79 KMT2A (0.59) CFTRMAPTKDM4EPOLBKMT2A
SCHEMBL8755009 0.79 GRM5 (0.39) MAPTKDM4EPTGDR2ALDH1A1
SCHEMBL5833870 0.78 CFTR (0.61) CFTRMAPTKDM4EMRGPRX4KMT2A
SCHEMBL5841660 0.78 CFTR (0.61) CFTRMAPTKDM4EMRGPRX4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148385-A 4-benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-23 CN disclosed
EP-0759911-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1997-03-05 EP disclosed
WO-1995031446-A1 4-BENZOYLISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-11-23 WO disclosed