SCHEMBL6595822

SCHEMBL6595822

COc1c(S(C)(=O)=O)ccc(C(=O)c2c(SC)noc2C2CC2)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
HTR2B P41595 1/20 0.30
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
SCHEMBL8762848 0.85 NR1H4 (0.35) NR1H4GPBAR1HTR2BSLC6A9
SCHEMBL6594562 0.85 GPBAR1 (0.32) GPBAR1
SCHEMBL6596749 0.82 GPBAR1 (0.36) NR1H4GPBAR1SLC6A9
SCHEMBL8492769 0.81 POLB (0.35) NR1H4
SCHEMBL8461471 0.81 HCRTR2 (0.31) L3MBTL1
SCHEMBL8493465 0.79 SLC6A9 (0.35) L3MBTL1HTR2BSLC6A9
SCHEMBL6595018 0.78 NPC1 (0.38) NR1H4GPBAR1
SCHEMBL8607786 0.77 STAT3 (0.45)
SCHEMBL6054858 0.76 CACNA1B (0.39)
SCHEMBL6600395 0.75 NPC1 (0.34) NR1H4

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 7 patents. 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
US-6297198-B1 COMPOUNDS WITH SULFUR GROUPS ON ISOXAZOLE RINGS AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-10-02 US claimed
EP-0901479-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES Novartis AG (CH) 1999-03-17 EP claimed
WO-1997043270-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1997-11-20 WO claimed
EP-0901479-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-02-11 EP disclosed
EP-0901479-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES Novartis AG (CH) 1999-03-17 EP disclosed
WO-1997043270-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES NOVARTIS AG (CH) 1997-11-20 WO disclosed