SCHEMBL14033658

SCHEMBL14033658

CC(C)(C)OC(=O)N1CC2CC1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)N21

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.70
CTSB P07858 2/20 0.39
HSD11B1 P28845 1/20 0.38
PARP1 P09874 1/20 0.36
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
GAA P10253 1/20 0.33
GPR119 Q8TDV5 3/20 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
SCHEMBL4044371 0.89 AR (0.67) ARCTSBGAA
SCHEMBL4039836 0.88 AR (0.65) ARCTSBGAA
SCHEMBL6375514 0.88 AR (0.65) ARCTSBGAA
SCHEMBL5092450 0.88 AR (0.65) ARCTSBGAA
SCHEMBL5099264 0.88 AR (0.65) ARCTSBGAA
SCHEMBL4037420 0.88 AR (0.65) ARCTSBGAA
SCHEMBL5099093 0.87 AR (0.78) ARCTSBGAA
SCHEMBL5092473 0.86 AR (0.64) ARCTSBGAA
SCHEMBL7209729 0.86 AR (0.64) ARCTSBGAA
SCHEMBL5093823 0.86 AR (0.68) AR

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-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed