SCHEMBL4038876

SCHEMBL4038876

C=CCN1C[C@@H]2CC1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)N21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.60
CTSB P07858 3/20 0.38
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6376636 1.00 AR (0.60) ARCTSBGAAALDH1A1LMNA
SCHEMBL5088818 1.00 AR (0.60) ARCTSBGAAALDH1A1LMNA
SCHEMBL4040367 1.00 AR (0.60) ARCTSBGAAALDH1A1LMNA
SCHEMBL5099241 0.86 AR (0.61) ARCTSBGAALMNA
SCHEMBL14033323 0.86 AR (0.61) ARCTSBGAALMNA
SCHEMBL6375514 0.80 AR (0.65) ARCTSBGAAALDH1A1
SCHEMBL5099264 0.80 AR (0.65) ARCTSBGAAALDH1A1
SCHEMBL4039836 0.80 AR (0.65) ARCTSBGAAALDH1A1
SCHEMBL5092450 0.80 AR (0.65) ARCTSBGAAALDH1A1
SCHEMBL4037420 0.80 AR (0.65) ARCTSBGAAALDH1A1

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
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed