SCHEMBL12809772

SCHEMBL12809772

CN(CCCC[C@H](NC(=O)COCCOCCOCCOCCN)C(=O)O)C(=O)CCCC[C@@H]1SCC2NC(=O)NC21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.57
▸ TDP1 Q9NUW8 5/20 0.47
▸ PKM P14618 3/20 0.46
▸ PRSS1 P07477 2/20 0.45
▸ PRSS2 P07478 2/20 0.45
▸ PRSS3 P35030 2/20 0.45
▸ TPSAB1 Q15661 2/20 0.45
▸ PLG P00747 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ IDE P14735 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ F2 P00734 1/20 0.45
▸ SORT1 Q99523 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
SCHEMBL6972386 1.00 FOLH1 (0.57) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL13485722 0.89 FOLH1 (0.54) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL4732514 0.87 FOLH1 (0.72) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL14547441 0.87 FOLH1 (0.72) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL1405877 0.86 FOLH1 (0.56) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL6973486 0.85 FOLH1 (0.67) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL21361154 0.83 TDP1 (0.50) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL739034 0.79 TDP1 (0.63) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL29512013 0.79 TDP1 (0.63) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL21361155 0.79 TDP1 (0.49) FOLH1TDP1PKMPRSS1PRSS2

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
EP-1991271-B1 ANTICOAGULANT ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN LABEL ORGANON NV (NL) 2011-03-09 — — EP disclosed
WO-2007042469-A2 ANTICOAGULANT ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN LABEL N.V. ORGANON (NL) 2007-04-19 — — WO disclosed
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