SCHEMBL7058447

SCHEMBL7058447

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)CSCC(=O)OO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.58
▸ ECE1 P42892 3/20 0.47
▸ ERAP2 Q6P179 2/20 0.44
▸ GLP1R P43220 4/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ CASP4 P49662 1/20 0.43
▸ CASP5 P51878 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP9 P55211 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ CASP10 Q92851 1/20 0.43
▸ IL1RN P18510 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP1 P03956 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ CCKAR P32238 1/20 0.43

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
SCHEMBL7058615 0.95 EDNRA (0.61) EDNRAECE1ERAP2GLP1RCASP1
SCHEMBL7261793 0.86 EDNRA (0.65) EDNRAECE1ERAP2GLP1RCASP1
SCHEMBL7261791 0.86 EDNRA (0.65) EDNRAECE1ERAP2GLP1RCASP1
SCHEMBL30533189 0.84 EDNRA (0.73) EDNRAECE1ERAP2GLP1RCASP1
SCHEMBL30045857 0.84 EDNRA (0.68) EDNRAECE1ERAP2GLP1RCASP1
SCHEMBL30533188 0.83 EDNRA (0.73) EDNRAECE1ERAP2GLP1RCASP1
SCHEMBL7996606 0.83 EDNRA (0.67) EDNRAECE1ERAP2GLP1RCASP1
SCHEMBL7996597 0.83 EDNRA (0.67) EDNRAECE1ERAP2GLP1RCASP1
SCHEMBL6990687 0.82 EDNRA (0.63) EDNRAECE1ERAP2GLP1RMMP2
SCHEMBL30533182 0.82 EDNRA (0.71) EDNRAECE1ERAP2CASP1CASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342201-B1 COMPLEXES WHICH ENRICH ARTERIOSCLEROTIC PLAQUE AND ARE PREFERENTIALLY SUITED FOR NON-INVASIVE DIAGNOSIS OF ARTERIOSCLEROSIS INSTITUT FOR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT (DE) 2002-01-29 — — US claimed
EP-0772633-B1 COMPLEXES FOR USE IN THE DIAGNOSIS OF VASCULAR DISEASES DIAGNOSTIKFORSCHUNG INST (DE) 2003-05-14 — — EP disclosed
US-6342201-B1 COMPLEXES WHICH ENRICH ARTERIOSCLEROTIC PLAQUE AND ARE PREFERENTIALLY SUITED FOR NON-INVASIVE DIAGNOSIS OF ARTERIOSCLEROSIS INSTITUT FOR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT (DE) 2002-01-29 — — US disclosed
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