SCHEMBL30045692

SCHEMBL30045692

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.60
▸ ERAP2 Q6P179 3/20 0.52
▸ KEAP1 Q14145 1/20 0.48
▸ GLP1R P43220 4/20 0.48
▸ IL1RN P18510 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ PTH1R Q03431 1/20 0.47
▸ CCKBR P32239 3/20 0.47
▸ TLR2 O60603 3/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP4 P49662 1/20 0.46
▸ CASP5 P51878 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP9 P55211 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ CASP8 Q14790 1/20 0.46
▸ CASP10 Q92851 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 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
SCHEMBL30045122 0.97 EDNRA (0.55) EDNRAERAP2KEAP1GLP1RPTH1R
SCHEMBL30044915 0.96 EDNRA (0.56) EDNRAERAP2KEAP1GLP1RPTH1R
SCHEMBL7996606 0.94 EDNRA (0.67) EDNRAERAP2GLP1RIL1RNERAP1
SCHEMBL7996597 0.94 EDNRA (0.67) EDNRAERAP2GLP1RIL1RNERAP1
SCHEMBL30044617 0.94 CCKBR (0.54) EDNRAKEAP1GLP1RPTH1RCCKBR
SCHEMBL30045857 0.94 EDNRA (0.68) EDNRAERAP2GLP1RIL1RNERAP1
SCHEMBL30533194 0.91 EDNRA (0.60) EDNRAERAP2GLP1RCTSBCTSK
SCHEMBL30533172 0.91 EDNRA (0.61) EDNRAERAP2CASP1CASP3CASP4
SCHEMBL30533198 0.90 EDNRA (0.57) EDNRAERAP2GLP1RCCKBRCASP1
SCHEMBL30046015 0.89 EDNRA (0.62) EDNRAKEAP1PTH1RCCKBR

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-11634458-B2 Peptides and compositions for use in cosmetics and medicine LIPOTRUE, S.L. (ES) 2023-04-25 — — US disclosed
CN-112040969-B Peptides and compositions for use in cosmetics and medicine 利波特鲁有限公司 2023-03-14 — — CN disclosed
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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