SCHEMBL28600495

SCHEMBL28600495

CS(=O)(=O)c1cc(Cl)ccc1C(=O)c1c(-c2ccc(Cl)cc2S(C)(=O)=O)noc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.44
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
POLB P06746 1/20 0.34
F10 P00742 1/20 0.34
NR1H4 Q96RI1 7/20 0.34
IDH1 O75874 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
RET P07949 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
SCHEMBL2467011 0.94 GPBAR1 (0.47) GPBAR1PPARGPPARDPPARAPOLB
SCHEMBL29397419 0.94 GPBAR1 (0.47) GPBAR1PPARGPPARDPPARAPOLB
SCHEMBL27574042 0.88 GPBAR1 (0.46) GPBAR1PPARGPPARDPPARAPOLB
SCHEMBL8762913 0.84 SMURF2 (0.38) GPBAR1PPARGPPARDPPARAF10
SCHEMBL6596749 0.83 GPBAR1 (0.36) GPBAR1PPARGPPARDPPARAF10
SCHEMBL8493346 0.82 NR1H4 (0.38) GPBAR1PPARGPPARDPPARAPOLB
SCHEMBL6607062 0.81 GPBAR1 (0.34) GPBAR1F10
SCHEMBL8488379 0.79 HTT (0.38) PPARGPPARDPPARA
SCHEMBL9116239 0.79 NR1H4 (0.35) GPBAR1PPARGPPARDPPARAF10
SCHEMBL6607069 0.79 GPBAR1 (0.33) GPBAR1PPARGPPARDPPARAF10

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
CN-112955011-A Compositions comprising a carboxypyridine herbicide in combination with a photosystem II and optionally an HPPD inhibitor herbicide 科迪华农业科技有限责任公司 2021-06-11 CN disclosed