SCHEMBL4050227

SCHEMBL4050227

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 7/20 0.41
STAT5A P42229 3/20 0.41
STAT5B P51692 2/20 0.41
F2 P00734 3/20 0.39
NPY5R Q15761 4/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A9 P48067 1/20 0.37
CCR8 P51685 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CCR1 P32246 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
SCHEMBL4052986 0.93 NPY5R (0.44) STAT6STAT5ASTAT5BNPY5RMEN1
SCHEMBL4053906 0.92 NPY5R (0.48) STAT6STAT5ASTAT5BNPY5RMEN1
SCHEMBL4052860 0.92 NPY5R (0.47) STAT6STAT5ASTAT5BNPY5RMEN1
SCHEMBL4049802 0.91 L3MBTL1 (0.44) STAT6STAT5ASTAT5BNPY5RPOLB
SCHEMBL4055537 0.90 TRPV4 (0.41) STAT6STAT5ASTAT5BNPY5RMEN1
SCHEMBL4052453 0.90 NPY5R (0.39) STAT6STAT5ASTAT5BNPY5RMEN1
SCHEMBL4056428 0.90 STAT6 (0.38) STAT6STAT5ASTAT5BNPY5RMEN1
SCHEMBL4053892 0.89 STAT6 (0.40) STAT6STAT5ASTAT5BNPY5RMEN1
SCHEMBL4050971 0.89 STAT6 (0.37) STAT6STAT5ASTAT5BNPY5RCCR8
SCHEMBL4050524 0.88 TRPV4 (0.42) STAT6STAT5ASTAT5BNPY5RCCR8

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-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO claimed
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed