SCHEMBL6607069

SCHEMBL6607069

CCCSc1noc(C2CC2)c1C(=O)c1ccc(Cl)cc1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.33
HSD11B1 P28845 4/20 0.32
F10 P00742 1/20 0.32
IRS1 P35568 1/20 0.32
GAB1 Q13480 1/20 0.32
NR1H4 Q96RI1 2/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
SLC6A9 P48067 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
SCHEMBL6596749 0.87 GPBAR1 (0.36) GPBAR1F10NR1H4PPARGPPARD
SCHEMBL6607062 0.85 GPBAR1 (0.34) GPBAR1F10
SCHEMBL8762913 0.80 SMURF2 (0.38) GPBAR1F10NR1H4PPARGPPARD
SCHEMBL28600495 0.79 GPBAR1 (0.44) GPBAR1F10NR1H4PPARGPPARD
SCHEMBL8488379 0.79 HTT (0.38) PPARGPPARDPPARA
SCHEMBL8493346 0.78 NR1H4 (0.38) GPBAR1F10NR1H4PPARGPPARD
SCHEMBL9116239 0.76 NR1H4 (0.35) GPBAR1F10NR1H4PPARGPPARD
SCHEMBL123795 0.74 F10 (0.39) F10SLC6A9
SCHEMBL4894785 0.74 F10 (0.39) F10SLC6A9
SCHEMBL6054858 0.73 CACNA1B (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901479-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-11 EP claimed