SCHEMBL9028689

SCHEMBL9028689

CC(C)(C)C(=O)OC(c1cnccc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
TYK2 P29597 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
TNF P01375 1/20 0.35
CNR2 P34972 1/20 0.34
GPBAR1 Q8TDU6 4/20 0.34
NFE2L2 Q16236 1/20 0.34
RBP4 P02753 1/20 0.34
CYP11B2 P19099 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL9028582 0.85 SCN9A (0.40) SCN9ATYK2SLC22A12TNFCNR2
SCHEMBL9030025 0.85 GPBAR1 (0.38) SCN9ATYK2GPBAR1
SCHEMBL9028593 0.84 CNR1 (0.40) SCN9ATYK2TNFCNR2ADAMTS5
SCHEMBL8550007 0.83 CTSA (0.33) ROCK2
SCHEMBL9028568 0.83 SCN9A (0.37) SCN9ATYK2CNR2GPBAR1ADAMTS5
SCHEMBL8549639 0.82 GPBAR1 (0.37) SCN9ACNR2GPBAR1RBP4
SCHEMBL8550618 0.82 LIPE (0.43) GPBAR1
SCHEMBL9028891 0.81 LIMK1 (0.37) SCN9ATYK2SLC22A12CNR2ADAMTS5
SCHEMBL8745940 0.80 CYP3A4 (0.35) CNR2
SCHEMBL27437030 0.79 LIPE (0.33) SCN9ATYK2SLC22A12GPBAR1ADAMTS5

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-0695292-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1996-02-07 EP disclosed