SCHEMBL30533201

SCHEMBL30533201

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.67
▸ MAGI3 Q5TCQ9 1/20 0.56
▸ CASP1 P29466 2/20 0.53
▸ CASP3 P42574 2/20 0.53
▸ CASP7 P55210 2/20 0.53
▸ CASP4 P49662 1/20 0.53
▸ CASP5 P51878 1/20 0.53
▸ CASP9 P55211 1/20 0.53
▸ CASP6 P55212 1/20 0.53
▸ CASP8 Q14790 1/20 0.53
▸ CASP10 Q92851 1/20 0.53
▸ ERAP2 Q6P179 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ACE P12821 2/20 0.47
▸ ECE1 P42892 3/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ MMP1 P03956 2/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46

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
SCHEMBL30533189 0.97 EDNRA (0.73) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL30533182 0.96 EDNRA (0.71) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL30533198 0.92 EDNRA (0.57) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL30533188 0.91 EDNRA (0.73) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL30533192 0.89 EDNRA (0.73) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL30533193 0.89 EDNRA (0.84) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL30533185 0.88 EDNRA (0.82) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL30045143 0.88 EDNRA (0.57) EDNRAMAGI3CCKARCCKBR
SCHEMBL30533172 0.88 EDNRA (0.61) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL30046082 0.88 EDNRA (0.69) EDNRAMAGI3ECE1MMP2MMP1

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
CN-116731106-A Synthetic hexapeptide, composition and application thereof 深圳市维琪科技股份有限公司 2023-09-12 — — CN claimed
CN-116731106-A Synthetic hexapeptide, composition and application thereof 深圳市维琪科技股份有限公司 2023-09-12 — — CN disclosed
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