SCHEMBL7942137

SCHEMBL7942137

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2C1CCCN2C(=O)c1ccc(C(=O)N2CCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.41
AKR1C3 P42330 6/20 0.40
KDM5A P29375 1/20 0.39
CYP51A1 Q16850 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.37
NAMPT P43490 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
CNR2 P34972 2/20 0.36
CCKBR P32239 1/20 0.36
DRD2 P14416 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
SCHEMBL7933189 0.90 STAT6 (0.42) STAT6KDM5ACYP51A1CCKBR
SCHEMBL1930903 0.88 AKR1C3 (0.39) STAT6AKR1C3KDM5ACYP51A1L3MBTL3
SCHEMBL7942685 0.88 STAT6 (0.47) STAT6AKR1C3KDM5ACYP51A1HRH4
SCHEMBL14980527 0.86 CYP51A1 (0.41) STAT6AKR1C3KDM5ACYP51A1CCKBR
SCHEMBL14980460 0.86 STAT6 (0.41) STAT6AKR1C3KDM5ACYP51A1CYP2C9
SCHEMBL14980442 0.85 STAT6 (0.48) STAT6AKR1C3CYP51A1HRH4CCKBR
SCHEMBL7934440 0.85 STAT6 (0.48) STAT6AKR1C3CYP51A1HRH4CCKBR
SCHEMBL14980528 0.85 STAT6 (0.40) STAT6AKR1C3KDM5ACYP51A1HRH4
SCHEMBL7934126 0.85 STAT6 (0.48) STAT6AKR1C3CYP51A1HRH4CCKBR
SCHEMBL7945427 0.84 STAT6 (0.45) STAT6AKR1C3KDM5ACYP51A1HRH4

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-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed