SCHEMBL8002402

SCHEMBL8002402

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@H]2N(C(=O)C3CCCCN3S(=O)(=O)c3cc(Cl)ccc3Cl)CC21C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.37
CYP51A1 Q16850 5/20 0.35
PYGL P06737 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
GHSR Q92847 2/20 0.34
HTRA1 Q92743 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 1/20 0.33
APOBEC3A P31941 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CCKBR P32239 1/20 0.33
POLB P06746 1/20 0.33
BCAT1 P54687 1/20 0.33

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
SCHEMBL7996254 0.95 STAT6 (0.37) STAT6CYP51A1PYGLSMYD3GHSR
SCHEMBL8002978 0.91 TDP1 (0.35) STAT6CYP51A1PYGLSMYD3HTRA1
SCHEMBL7999763 0.90 CYP51A1 (0.35) STAT6CYP51A1PYGLSMYD3HTRA1
SCHEMBL8002404 0.88 PYGL (0.37) CYP51A1PYGLSMYD3GHSRALOX15
SCHEMBL4338819 0.86 STAT6 (0.40) STAT6CYP51A1PYGLSMYD3GHSR
SCHEMBL7998247 0.86 STAT6 (0.33) STAT6CYP51A1PYGLSMYD3HTRA1
SCHEMBL7989864 0.82 PYGL (0.37) CYP51A1PYGLSMYD3GHSRALOX15
SCHEMBL8004923 0.82 PYGL (0.37) CYP51A1PYGLSMYD3ALOX15BCAT1
SCHEMBL4343831 0.82 STAT6 (0.39) STAT6CYP51A1PYGLSMYD3HTRA1
SCHEMBL4350448 0.81 STAT6 (0.40) STAT6CYP51A1PYGLSMYD3HTRA1

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