SCHEMBL13045386

SCHEMBL13045386

C=C1N[C@H]2CSC(CCCCC(=O)NCCCC[C@H](NC(=O)CN(Cc3ccccc3)C(=O)CN(Cc3ccccc3)C(=O)CN(CCCCN)C(=O)CN(Cc3ccccc3)C(C)=O)C(N)=O)[C@H]2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.49
▸ PLG P00747 2/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ TPSAB1 Q15661 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ CASP3 P42574 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ LCK P06239 3/20 0.38
▸ VIM P08670 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.37

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
SCHEMBL16350635 0.93 FOLH1 (0.56) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL10085174 0.93 FOLH1 (0.48) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL10085160 0.92 TDP1 (0.44) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL10085186 0.90 PLG (0.41) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL10085182 0.89 PLG (0.41) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL16329971 0.88 FOLH1 (0.56) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045424 0.88 FOLH1 (0.56) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045392 0.88 FOLH1 (0.43) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045383 0.88 PLG (0.41) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045391 0.87 PLG (0.42) FOLH1PLGPRSS1PRSS2PRSS3

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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