SCHEMBL7808943

SCHEMBL7808943

Cc1n[nH]c(O)c1C(=O)c1ccc(S(C)(=O)=O)c(OCC2CCO2)c1C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.32
SCN9A Q15858 1/20 0.32
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
GRM5 P41594 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
SCHEMBL7814573 0.91 RORC (0.32) SCN9AMAPK1GRM5
SCHEMBL4968377 0.80 PDE4D (0.31)
SCHEMBL7811578 0.79 FPR2 (0.31)
SCHEMBL8177164 0.78 SCN9A (0.32) CNR2SCN9ANPC1RAB9AGRM5
SCHEMBL8177026 0.76 LMNA (0.31) SCN9ANPC1RAB9AGRM5
SCHEMBL4966361 0.76
SCHEMBL8175813 0.74 RORC (0.34) SCN9AGRM5
SCHEMBL7810791 0.73 RORC (0.33) MAPK1
SCHEMBL7809075 0.72 GNRHR (0.34)
SCHEMBL7811746 0.72 FPR2 (0.30)

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-1077972-A1 1-ALKYL-4-[(3-OXETANYL-)BENZOYL]-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2001-02-28 EP disclosed
WO-2000017194-A1 1-ALKYL-4-[(3-OXETANYL-)BENZOYL]-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2000-03-30 WO disclosed