SCHEMBL13045432

SCHEMBL13045432

CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N(CCCCN)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CC(=O)NC(CCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ PLG P00747 2/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TPSAB1 Q15661 2/20 0.47
▸ CAPN1 P07384 2/20 0.43
▸ F2 P00734 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP2 P42575 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
SCHEMBL13045443 1.00 FOLH1 (0.48) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL13045436 0.99 FOLH1 (0.48) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL13045420 0.98 FOLH1 (0.46) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL16350785 0.98 FOLH1 (0.48) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL13045428 0.95 FOLH1 (0.47) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL10085182 0.94 PLG (0.41) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL10085186 0.92 PLG (0.41) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL10085170 0.92 PLG (0.41) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL16299298 0.92 TDP1 (0.49) FOLH1TDP1PLGPRSS1PRSS2
SCHEMBL13045383 0.91 PLG (0.41) FOLH1TDP1PLGPRSS1PRSS2

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
US-7834144-B2 Prion-specific peptoid reagents NOVARTIS AG (CH) 2010-11-16 — — US disclosed
US-7834144-B2 Prion-specific peptoid reagents NOVARTIS AG (CH) 2010-11-16 — — US disclosed
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