SCHEMBL4347129

SCHEMBL4347129

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.39
BCAT1 P54687 1/20 0.39
CYP51A1 Q16850 3/20 0.38
POLB P06746 1/20 0.37
DRD2 P14416 1/20 0.37
CNR1 P21554 1/20 0.36
GHSR Q92847 2/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
PLD1 Q13393 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.35
STAT6 P42226 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL4341339 0.94 PYGL (0.39) PYGLBCAT1CYP51A1DRD2GHSR
SCHEMBL4343217 0.94 POLB (0.47) PYGLCYP51A1POLBCNR1GHSR
SCHEMBL4343715 0.94 POLB (0.47) PYGLCYP51A1POLBCNR1GHSR
SCHEMBL19856944 0.89 CYP51A1 (0.38) PYGLBCAT1CYP51A1DRD2ALOX15
SCHEMBL4343831 0.89 STAT6 (0.39) PYGLBCAT1CYP51A1DRD2ALOX15
SCHEMBL19856939 0.89 CYP51A1 (0.38) PYGLBCAT1CYP51A1DRD2ALOX15
SCHEMBL4341295 0.88 POLB (0.41) PYGLCYP51A1POLBGHSRALOX15
SCHEMBL4336622 0.88 POLB (0.41) PYGLCYP51A1POLBGHSRALOX15
SCHEMBL4338819 0.87 STAT6 (0.40) PYGLBCAT1CYP51A1POLBDRD2
SCHEMBL8002404 0.86 PYGL (0.37) PYGLBCAT1CYP51A1POLBDRD2

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
WO-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO claimed
WO-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed