SCHEMBL4350449

SCHEMBL4350449

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.36
STAT6 P42226 1/20 0.36
CYP51A1 Q16850 5/20 0.34
F2 P00734 2/20 0.34
F9 P00740 2/20 0.34
F10 P00742 2/20 0.34
F12 P00748 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
F7 P08709 2/20 0.34
PRSS3 P35030 2/20 0.34
PYGL P06737 2/20 0.34
DRD3 P35462 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
DRD2 P14416 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4341332 1.00 HTRA1 (0.36) HTRA1STAT6CYP51A1F2F9
SCHEMBL4335350 0.95 TDP1 (0.36) HTRA1STAT6CYP51A1F2F9
SCHEMBL4343721 0.95 TDP1 (0.36) HTRA1STAT6CYP51A1F2F9
SCHEMBL19856915 0.95 TDP1 (0.36) HTRA1STAT6CYP51A1F2F9
SCHEMBL19856965 0.95 TDP1 (0.36) HTRA1STAT6CYP51A1F2F9
SCHEMBL4340949 0.91 STAT6 (0.39) HTRA1STAT6CYP51A1PYGLDRD3
SCHEMBL4350448 0.90 STAT6 (0.40) HTRA1STAT6CYP51A1PYGLDRD3
SCHEMBL7998247 0.87 STAT6 (0.33) HTRA1STAT6CYP51A1F2F9
SCHEMBL4343831 0.86 STAT6 (0.39) HTRA1STAT6CYP51A1F2F10
SCHEMBL4341339 0.86 PYGL (0.39) STAT6CYP51A1PYGLDRD3SMYD3

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