SCHEMBL16350641

SCHEMBL16350641

COCCN(CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O)C(=O)CN(CCOC)C(=O)CN(CCCCN)C(=O)CN(Cc1cccc2ccccc12)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.48
▸ PLG P00747 2/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TPSAB1 Q15661 2/20 0.47
▸ F2 P00734 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CASP3 P42574 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP2 P42575 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP8 Q14790 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ PLCD1 P51178 1/20 0.39

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
SCHEMBL16329972 0.95 FOLH1 (0.48) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045391 0.94 PLG (0.42) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL16350682 0.90 FOLH1 (0.51) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL16350635 0.87 FOLH1 (0.56) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL12387464 0.86 FOLH1 (0.39) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL16329968 0.86 TDP1 (0.49) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL14601079 0.86 TDP1 (0.54) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045421 0.86 TDP1 (0.54) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL16299318 0.85 TDP1 (0.48) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045429 0.85 TDP1 (0.49) 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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