SCHEMBL7941012

SCHEMBL7941012

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C1CCCN2C(=O)c1cc(Oc2ccccc2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.47
ELANE P08246 2/20 0.40
CYP51A1 Q16850 4/20 0.38
FLT3 P36888 1/20 0.38
CCKBR P32239 2/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36
PYGL P06737 1/20 0.36
LGALS8 O00214 1/20 0.36
LGALS3 P17931 1/20 0.36
XDH P47989 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL7942838 0.91 STAT6 (0.44) STAT6CYP51A1CCKBRDRD2DRD3
SCHEMBL7933535 0.90 STAT6 (0.43) STAT6ELANECYP51A1CCKBRDRD2
SCHEMBL7936426 0.90 STAT6 (0.50) STAT6ELANECYP51A1FLT3CCKBR
SCHEMBL7941646 0.90 STAT6 (0.45) STAT6CYP51A1CCKBRDRD2PYGL
SCHEMBL7945425 0.88 STAT6 (0.42) STAT6CYP51A1CCKBRDRD2DRD3
SCHEMBL7941165 0.88 STAT6 (0.46) STAT6ELANECYP51A1FLT3DRD2
SCHEMBL19856864 0.88 STAT6 (0.42) STAT6ELANECYP51A1FLT3DRD2
SCHEMBL19856862 0.88 STAT6 (0.42) STAT6ELANECYP51A1FLT3DRD2
SCHEMBL7945428 0.87 STAT6 (0.44) STAT6CYP51A1CCKBRDRD2DRD3
SCHEMBL7941166 0.85 STAT6 (0.43) STAT6ELANECYP51A1CCKBRDRD2

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
WO-2010011912-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed