SCHEMBL14980442

SCHEMBL14980442

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2[C@@H]1CCCN2C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.48
AKR1C3 P42330 7/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
HRH4 Q9H3N8 3/20 0.45
DRD2 P14416 1/20 0.44
CYP51A1 Q16850 1/20 0.44
CCKBR P32239 1/20 0.43
RBP4 P02753 1/20 0.41

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
SCHEMBL7934440 1.00 STAT6 (0.48) STAT6AKR1C3F2F10PLG
SCHEMBL7934126 0.94 STAT6 (0.48) STAT6AKR1C3F2F10PLG
SCHEMBL7941160 0.92 STAT6 (0.45) STAT6HRH4DRD2CYP51A1CCKBR
SCHEMBL7945427 0.92 STAT6 (0.45) STAT6AKR1C3F2F10PLG
SCHEMBL7941646 0.91 STAT6 (0.45) STAT6AKR1C3F2F10PLG
SCHEMBL7943270 0.90 STAT6 (0.48) STAT6AKR1C3HRH4DRD2CYP51A1
SCHEMBL7942667 0.89 STAT6 (0.44) STAT6AKR1C3F2F10PLG
SCHEMBL7942685 0.89 STAT6 (0.47) STAT6AKR1C3F2F10PLG
SCHEMBL7943634 0.89 STAT6 (0.48) STAT6AKR1C3DRD2CYP51A1CCKBR
SCHEMBL7942838 0.89 STAT6 (0.44) STAT6F2F10PLGPRSS1

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
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed