SCHEMBL13045391

SCHEMBL13045391

C=C1N[C@H]2CSC(CCCCC(=O)NCCCC[C@H](NC(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCCCN)C(=O)CN(Cc3cccc4ccccc34)C(C)=O)C(N)=O)[C@H]2N1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 2/20 0.42
▸ PRSS1 P07477 2/20 0.42
▸ PRSS2 P07478 2/20 0.42
▸ PRSS3 P35030 2/20 0.42
▸ TPSAB1 Q15661 2/20 0.42
▸ FOLH1 Q04609 8/20 0.41
▸ VIM P08670 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ CASP3 P42574 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP2 P42575 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP8 Q14790 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL16350641 0.94 FOLH1 (0.48) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13045392 0.90 FOLH1 (0.43) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL16329972 0.89 FOLH1 (0.48) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13045386 0.87 FOLH1 (0.49) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10085160 0.86 TDP1 (0.44) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10085179 0.85 PRSS1 (0.42) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL10085177 0.85 PRSS1 (0.41) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13045377 0.85 PLG (0.42) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL12387464 0.85 FOLH1 (0.39) PLGPRSS1PRSS2PRSS3TPSAB1
SCHEMBL16350682 0.84 FOLH1 (0.51) PLGPRSS1PRSS2PRSS3TPSAB1

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-7834144-B2 Prion-specific peptoid reagents NOVARTIS AG (CH) 2010-11-16 — — US disclosed
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