SCHEMBL14601079

SCHEMBL14601079

CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)NC12)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.54
▸ FOLH1 Q04609 5/20 0.51
▸ CAPN1 P07384 2/20 0.47
▸ PRSS1 P07477 2/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ TPSAB1 Q15661 2/20 0.46
▸ PLG P00747 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ PLCD1 P51178 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ PLCG1 P19174 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
SCHEMBL13045421 1.00 TDP1 (0.54) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL16350682 0.95 FOLH1 (0.51) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL10085160 0.92 TDP1 (0.44) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL16350635 0.92 FOLH1 (0.56) TDP1FOLH1PRSS1PRSS2PRSS3
SCHEMBL13045436 0.91 FOLH1 (0.48) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL13045443 0.90 FOLH1 (0.48) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL13045432 0.90 FOLH1 (0.48) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL16329968 0.90 TDP1 (0.49) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL16299318 0.89 TDP1 (0.48) TDP1FOLH1CAPN1PRSS1PRSS2
SCHEMBL13045429 0.89 TDP1 (0.49) TDP1FOLH1CAPN1PRSS1PRSS2

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-2007030804-A1 PRION-SPECIFIC PEPTOID REAGENTS NOVARTIS AG (CH) 2007-03-15 — — WO disclosed
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