SCHEMBL9715394

SCHEMBL9715394

CCCCC(Cc1cc(C(C)(C)C)c(O)cc1C(C)(C)C)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
F2R P25116 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3033645 0.86 ATM (0.36) GAAPTGS1PTGS2XBP1ATM
SCHEMBL31364 0.85 GAA (0.36) GAAF2RPTGS1PTGS2ATM
SCHEMBL991865 0.85 NR5A2 (0.36) GAAF2RXBP1NPSR1
SCHEMBL7048033 0.83 MEN1 (0.30) GAA
SCHEMBL9421611 0.83 GAA (0.35) GAA
SCHEMBL10038361 0.82 GAA (0.32) GAAPTGS1PTGS2
SCHEMBL11213179 0.82 GAA (0.35) GAAF2RPTGS1PTGS2ATM
SCHEMBL13599592 0.81 GAA (0.36) GAAF2RATMNPSR1
SCHEMBL28180252 0.81 NR5A2 (0.35) GAAXBP1NPSR1
SCHEMBL11487382 0.81 GAA (0.35) GAAF2RPTGS1PTGS2ATM

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-0483400-A1 Stabilized chlorinated resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP disclosed