SCHEMBL4336622

SCHEMBL4336622

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GHSR Q92847 2/20 0.39
STAT6 P42226 1/20 0.38
CYP51A1 Q16850 4/20 0.38
ATM Q13315 1/20 0.38
PYGL P06737 2/20 0.36
TP53 P04637 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD3 P35462 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
SCHEMBL4341295 1.00 POLB (0.41) POLBGHSRSTAT6CYP51A1ATM
SCHEMBL4343715 0.95 POLB (0.47) POLBGHSRSTAT6CYP51A1ATM
SCHEMBL4343217 0.95 POLB (0.47) POLBGHSRSTAT6CYP51A1ATM
SCHEMBL4341339 0.94 PYGL (0.39) GHSRSTAT6CYP51A1PYGLSMYD3
SCHEMBL4347129 0.88 PYGL (0.39) POLBGHSRSTAT6CYP51A1PYGL
SCHEMBL4350448 0.87 STAT6 (0.40) POLBSTAT6CYP51A1PYGLSMYD3
SCHEMBL4340949 0.87 STAT6 (0.39) STAT6CYP51A1PYGLSMYD3ALOX15
SCHEMBL4350449 0.83 HTRA1 (0.36) POLBSTAT6CYP51A1PYGLSMYD3
SCHEMBL4341332 0.83 HTRA1 (0.36) POLBSTAT6CYP51A1PYGLSMYD3
SCHEMBL19856968 0.83 CCKBR (0.44) STAT6CYP51A1

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