SCHEMBL20216905

SCHEMBL20216905

COC(=O)CCCCOCCNC(=O)CCCCOCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.74
▸ F2 P00734 1/20 0.66
▸ PRSS1 P07477 1/20 0.66
▸ PRSS2 P07478 1/20 0.66
▸ PRSS3 P35030 1/20 0.66
▸ TPSAB1 Q15661 1/20 0.66
▸ PKM P14618 3/20 0.61
▸ FOLH1 Q04609 3/20 0.60
▸ CNR1 P21554 2/20 0.55
▸ PLCD1 P51178 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54

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
SCHEMBL30574542 0.94 TDP1 (0.71) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19380670 0.93 TDP1 (0.73) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19409007 0.93 TDP1 (0.73) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19017236 0.91 F2 (0.73) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL903552 0.91 TDP1 (0.86) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL4968230 0.91 F2 (0.73) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL15216220 0.91 F2 (0.73) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL19751698 0.91 F2 (0.73) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL20097878 0.90 F2 (0.71) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL13827475 0.90 F2 (0.73) TDP1F2PRSS1PRSS2PRSS3

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-3129385-B1 NEOSORAPHENS AND THEIR USE IN THE TREATMENT OR PREVENTION OF A VIRAL INFECTION OR OF A TH17-ASSOCIATED INFLAMMATORY AND/OR AUTOIMMUNE DISEASE HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2018-06-06 — — EP disclosed
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