SCHEMBL16329967

SCHEMBL16329967

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.51
▸ FOLH1 Q04609 7/20 0.49
▸ PLCD1 P51178 1/20 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
▸ F2 P00734 1/20 0.45
▸ CNR1 P21554 3/20 0.45
▸ CAPN1 P07384 2/20 0.45
▸ PLG P00747 1/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ PADI6 Q6TGC4 1/20 0.42

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
SCHEMBL16315933 0.97 TDP1 (0.53) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL13045423 0.94 TDP1 (0.47) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL13045429 0.93 TDP1 (0.49) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL16329968 0.92 TDP1 (0.49) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL16330041 0.91 TDP1 (0.57) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL12387460 0.90 TDP1 (0.39) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL14524594 0.89 TDP1 (0.43) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL16350682 0.88 FOLH1 (0.51) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL10085165 0.88 PRSS1 (0.40) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL16299318 0.86 TDP1 (0.48) TDP1FOLH1PLCD1PRSS1PRSS2

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-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 — — US disclosed
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