SCHEMBL5099093

SCHEMBL5099093

CCCCOC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)N21

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.78
SMN1; SMN2 Q16637 1/20 0.34
CTSB P07858 3/20 0.33
BCHE P06276 1/20 0.32
ECE1 P42892 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL5093823 0.87 AR (0.68) AR
SCHEMBL14033658 0.87 AR (0.70) ARCTSBGAA
SCHEMBL5098266 0.85 AR (0.58) ARSMN1; SMN2
SCHEMBL4044371 0.84 AR (0.67) ARCTSBALDH1A1GAA
SCHEMBL4039836 0.84 AR (0.65) ARCTSBALDH1A1GAA
SCHEMBL5092450 0.84 AR (0.65) ARCTSBALDH1A1GAA
SCHEMBL5099264 0.84 AR (0.65) ARCTSBALDH1A1GAA
SCHEMBL6375514 0.84 AR (0.65) ARCTSBALDH1A1GAA
SCHEMBL4037420 0.84 AR (0.65) ARCTSBALDH1A1GAA
SCHEMBL5092469 0.83 AR (0.80) 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