SCHEMBL8301544

SCHEMBL8301544

CCc1n[nH]c(O)c1C(=O)c1ccc(S(C)(=O)=O)c(-c2ccc(S(C)(=O)=O)cc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 14/20 0.34
PTGS2 P35354 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL8302118 0.93 DPP4 (0.35)
SCHEMBL8301326 0.92 CA12 (0.35) GHSR
SCHEMBL8301349 0.91 MEN1 (0.34) PTGS2
SCHEMBL8300662 0.90 MAPT (0.38)
SCHEMBL8306931 0.88 HEXA (0.34) PTGS2
SCHEMBL8300843 0.87 GSK3B (0.34) PTGS2
SCHEMBL8303758 0.85 HEXA (0.35) LRRK2
SCHEMBL8305579 0.85 MAPT (0.33)
SCHEMBL8300550 0.82 MAPT (0.37)
SCHEMBL7807452 0.82 PIK3CA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed