SCHEMBL16330041

SCHEMBL16330041

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ FOLH1 Q04609 8/20 0.55
▸ CAPN1 P07384 2/20 0.49
▸ PLCD1 P51178 1/20 0.49
▸ PRSS1 P07477 2/20 0.48
▸ PRSS2 P07478 2/20 0.48
▸ PRSS3 P35030 2/20 0.48
▸ TPSAB1 Q15661 2/20 0.48
▸ F2 P00734 1/20 0.48
▸ CNR1 P21554 2/20 0.48
▸ PLG P00747 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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 0.94 TDP1 (0.53) TDP1FOLH1CAPN1PLCD1PRSS1
SCHEMBL16329967 0.91 TDP1 (0.51) TDP1FOLH1CAPN1PLCD1PRSS1
SCHEMBL16329968 0.90 TDP1 (0.49) TDP1FOLH1CAPN1PLCD1PRSS1
SCHEMBL13045429 0.89 TDP1 (0.49) TDP1FOLH1CAPN1PLCD1PRSS1
SCHEMBL12387577 0.88 TDP1 (0.43) TDP1FOLH1CAPN1PLCD1PRSS1
SCHEMBL16329966 0.87 CA12 (0.53) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL13045423 0.87 TDP1 (0.47) TDP1FOLH1CAPN1PLCD1PRSS1
SCHEMBL24601803 0.87 FOLH1 (0.67) TDP1FOLH1CAPN1PLCD1PRSS1
SCHEMBL14524594 0.86 TDP1 (0.43) TDP1FOLH1CAPN1PLCD1PRSS1
SCHEMBL16350682 0.85 FOLH1 (0.51) TDP1FOLH1CAPN1PLCD1PRSS1

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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