SCHEMBL14547441

SCHEMBL14547441

NCCOCCOCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.72
▸ TDP1 Q9NUW8 1/20 0.65
▸ PKM P14618 2/20 0.56
▸ PRSS1 P07477 2/20 0.54
▸ PRSS2 P07478 2/20 0.54
▸ PRSS3 P35030 2/20 0.54
▸ TPSAB1 Q15661 2/20 0.54
▸ PLG P00747 1/20 0.54
▸ F2 P00734 1/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ HSP90AB1 P08238 1/20 0.49

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
SCHEMBL4732514 1.00 FOLH1 (0.72) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL6973486 0.96 FOLH1 (0.67) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL1405877 0.88 FOLH1 (0.56) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL10044328 0.88 TDP1 (0.72) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL29928558 0.87 TDP1 (0.75) FOLH1TDP1PKMCAPN1
SCHEMBL9807479 0.87 TDP1 (0.77) FOLH1TDP1PKMCAPN1
SCHEMBL6972386 0.87 FOLH1 (0.57) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL12809772 0.87 FOLH1 (0.57) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL13497854 0.86 PRSS1 (0.67) FOLH1TDP1PKMPRSS1PRSS2
SCHEMBL13497916 0.86 PRSS1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007042469-A2 ANTICOAGULANT ANTITHROMBOTIC DUAL INHIBITORS COMPRISING A BIOTIN LABEL N.V. ORGANON (NL) 2007-04-19 — — WO disclosed
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