SCHEMBL8010908

SCHEMBL8010908

CC(C)(C)C(NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N1C[C@H]2N(C(=O)CNCc3cc(Cl)ccc3Cl)CC21C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 10/20 0.39
CYP51A1 Q16850 7/20 0.39
PYGM P11217 1/20 0.39
SMYD3 Q9H7B4 2/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL8006223 0.88 PYGL (0.39) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL4048476 0.86 PYGL (0.41) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL7996360 0.82 SMYD3 (0.36) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL8004929 0.81 SMYD3 (0.37) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL7997127 0.80 STAT6 (0.36) PYGLCYP51A1PYGMSMYD3
SCHEMBL8004923 0.79 PYGL (0.37) PYGLCYP51A1SMYD3
SCHEMBL8004714 0.78 ALOX15 (0.40) PYGLCYP51A1PYGMSMYD3
SCHEMBL7996364 0.76 ALB (0.36) CYP51A1
SCHEMBL7986132 0.74 SMYD3 (0.47) PYGLCYP51A1PYGMSMYD3MEN1
SCHEMBL8002427 0.74 SMYD3 (0.47) PYGLCYP51A1PYGMSMYD3MEN1

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