SCHEMBL30045122

SCHEMBL30045122

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.55
▸ CCKBR P32239 3/20 0.49
▸ CASP1 P29466 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ CASP4 P49662 1/20 0.48
▸ CASP5 P51878 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ CASP9 P55211 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CASP8 Q14790 1/20 0.48
▸ CASP10 Q92851 1/20 0.48
▸ CCKAR P32238 1/20 0.48
▸ ERAP2 Q6P179 1/20 0.47
▸ MAGI3 Q5TCQ9 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CTSC P53634 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ GLP1R P43220 2/20 0.45

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
SCHEMBL30044915 0.99 EDNRA (0.56) EDNRACCKBRCASP1CASP3CASP4
SCHEMBL30044617 0.97 CCKBR (0.54) EDNRACCKBRCASP1CASP3CASP4
SCHEMBL30045692 0.97 EDNRA (0.60) EDNRACCKBRCASP1CASP3CASP4
SCHEMBL30533172 0.94 EDNRA (0.61) EDNRACASP1CASP3CASP4CASP5
SCHEMBL30533198 0.93 EDNRA (0.57) EDNRACCKBRCASP1CASP3CASP4
SCHEMBL7996606 0.91 EDNRA (0.67) EDNRACASP1CASP3CASP4CASP5
SCHEMBL7996597 0.91 EDNRA (0.67) EDNRACASP1CASP3CASP4CASP5
SCHEMBL30045857 0.90 EDNRA (0.68) EDNRACASP1CASP3CASP4CASP5
SCHEMBL30533167 0.90 EDNRA (0.61) EDNRACCKBRCASP1CASP3CASP4
SCHEMBL30533164 0.89 EDNRA (0.59) EDNRACASP1CASP3CASP4CASP5

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
EP-3758730-B1 PEPTIDES AND COMPOSITIONS FOR USE IN COSMETICS AND MEDICINE LIPOTRUE S L (ES) 2022-11-02 — — EP disclosed
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