SCHEMBL12339166

SCHEMBL12339166

BCC(=O)N(CCNC(=O)CN(CCOP(=O)(O)OCCCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)CB)CC(=O)NCCCCCCOP(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCD1 P51178 1/20 0.66
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
TPSAB1 Q15661 1/20 0.52
TDP1 Q9NUW8 2/20 0.49
CNR1 P21554 3/20 0.45
FOLH1 Q04609 5/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
CNR2 P34972 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FGF1 P05230 1/20 0.43
FGF2 P09038 1/20 0.43
VEGFA P15692 1/20 0.43
HPSE Q9Y251 1/20 0.43

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
SCHEMBL12764711 0.99 PLCD1 (0.64) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL16327743 0.86 PLCD1 (0.59) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL14473665 0.84 PLCD1 (0.56) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL18751368 0.81 PLCD1 (0.75) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL14455751 0.79 PLCD1 (0.69) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL21525859 0.78 F2 (0.71) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL19705583 0.78 PLCD1 (0.69) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL23868667 0.77 PRSS1 (0.72) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL26550330 0.77 PRSS1 (0.72) PLCD1F2PRSS1PRSS2PRSS3
SCHEMBL13497919 0.77 TDP1 (0.67) PLCD1F2PRSS1PRSS2PRSS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268560-B2 Polymide nucleic acid derivatives, and agents and processes for preparing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-09-18 US disclosed
US-20110117569-A1 POLYMIDE NUCLEIC ACID DERIVATIVES, AND AGENTS AND PROCESSES FOR PREPARING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-05-19 US disclosed