SCHEMBL16082971

SCHEMBL16082971

CCCOCCOCCOCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.73
▸ PRSS1 P07477 1/20 0.73
▸ PRSS2 P07478 1/20 0.73
▸ PRSS3 P35030 1/20 0.73
▸ TPSAB1 Q15661 1/20 0.73
▸ PKM P14618 3/20 0.66
▸ FOLH1 Q04609 3/20 0.64
▸ TDP1 Q9NUW8 5/20 0.61
▸ HLCS P50747 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ HSP90AB1 P08238 1/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56

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
SCHEMBL30143870 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12877771 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18732967 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL13431904 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15308981 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL27438749 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL20781222 0.99 F2 (0.71) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19069527 0.96 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL17031576 0.95 F2 (0.72) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16478814 0.95 F2 (0.67) F2PRSS1PRSS2PRSS3TPSAB1

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
WO-2014144952-A2 MODULATORS OF THE EIF2ALPHA PATHWAY WALTER PETER (US) 2014-09-18 — — WO disclosed
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