SCHEMBL30533172

SCHEMBL30533172

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.61
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ACE P12821 2/20 0.50
▸ ERAP2 Q6P179 1/20 0.50
▸ CASP1 P29466 2/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ CASP7 P55210 2/20 0.49
▸ CASP4 P49662 1/20 0.49
▸ CASP5 P51878 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CASP10 Q92851 1/20 0.49
▸ ECE1 P42892 6/20 0.48
▸ MAGI3 Q5TCQ9 1/20 0.48
▸ MMP2 P08253 2/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP1 P03956 1/20 0.47

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
SCHEMBL30533198 0.96 EDNRA (0.57) EDNRAKMT2AL3MBTL1ACEERAP2
SCHEMBL7996597 0.96 EDNRA (0.67) EDNRAKMT2AL3MBTL1ERAP2CASP1
SCHEMBL7996606 0.96 EDNRA (0.67) EDNRAKMT2AL3MBTL1ERAP2CASP1
SCHEMBL30045857 0.96 EDNRA (0.68) EDNRAKMT2AL3MBTL1ERAP2CASP1
SCHEMBL30533164 0.95 EDNRA (0.59) EDNRAKMT2AL3MBTL1ACEERAP2
SCHEMBL30045122 0.94 EDNRA (0.55) EDNRAKMT2AL3MBTL1ACEERAP2
SCHEMBL30044915 0.93 EDNRA (0.56) EDNRAKMT2AL3MBTL1ERAP2CASP1
SCHEMBL30533182 0.91 EDNRA (0.71) EDNRAKMT2AL3MBTL1ACEERAP2
SCHEMBL30045692 0.91 EDNRA (0.60) EDNRAERAP2CASP1CASP3CASP7
SCHEMBL30533194 0.91 EDNRA (0.60) EDNRAERAP2

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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