SCHEMBL9069770

SCHEMBL9069770

CCC(C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)CC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.68
▸ EDNRA P25101 1/20 0.63
▸ CASP1 P29466 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ CASP4 P49662 1/20 0.56
▸ CASP5 P51878 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ CASP9 P55211 1/20 0.56
▸ CASP6 P55212 1/20 0.56
▸ CASP8 Q14790 1/20 0.56
▸ CASP10 Q92851 1/20 0.56
▸ ERAP2 Q6P179 2/20 0.53
▸ ECE1 P42892 3/20 0.52
▸ GHSR Q92847 1/20 0.51
▸ CCKAR P32238 2/20 0.50
▸ CCKBR P32239 2/20 0.50
▸ KISS1R Q969F8 2/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50

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
SCHEMBL7400880 0.96 EDNRA (0.69) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL7401288 0.93 MAGI3 (0.64) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL7401285 0.93 MAGI3 (0.64) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL9069917 0.91 EDNRA (0.69) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL7397165 0.91 EDNRA (0.73) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL9069771 0.90 MAGI3 (0.77) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL7392689 0.89 MAGI3 (0.72) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL7392686 0.89 MAGI3 (0.72) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL9069561 0.89 MAGI3 (0.62) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL9068986 0.89 MAGI3 (0.62) MAGI3EDNRACASP1CASP3CASP4

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-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 — — US disclosed
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