SCHEMBL31239738

SCHEMBL31239738

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.54
▸ MAGI3 Q5TCQ9 1/20 0.49
▸ ERBB2 P04626 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ ACE P12821 2/20 0.48
▸ ECE1 P42892 3/20 0.47
▸ GRPR P30550 3/20 0.47
▸ GLP1R P43220 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ IL1RN P18510 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ GHSR Q92847 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
SCHEMBL31741299 0.95 ERBB2 (0.54) ERAP2MAGI3ERBB2CASP1CASP3
SCHEMBL31239701 0.93 KISS1R (0.53) ERAP2GLP1RIL1RN
SCHEMBL31022136 0.93 ERAP2 (0.56) ERAP2ACEECE1IL1RNERAP1
Hydrochloric Acid SCHEMBL11220500 0.91 ACE (0.56) ACEECE1
SCHEMBL31510666 0.90 ECE1 (0.54) ERAP2ACEECE1IL1RNERAP1
SCHEMBL30843962 0.90 ACE (0.52) ERAP2MAGI3ACEECE1MMP1
SCHEMBL30092997 0.90 GHSR (0.52) GHSR
SCHEMBL31211798 0.89 ERAP2 (0.57) ERAP2GRPRGLP1R
SCHEMBL30533198 0.89 EDNRA (0.57) ERAP2MAGI3ERBB2CASP1CASP3
SCHEMBL29419015 0.89 ERAP2 (0.52) ERAP2ERBB2GRPRGLP1R

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
CN-118662378-A Active peptide composition with skin photoaging resisting function and preparation method and application thereof 深圳市罗湖区人民医院 2024-09-20 — — CN claimed
CN-118662378-A Active peptide composition with skin photoaging resisting function and preparation method and application thereof 深圳市罗湖区人民医院 2024-09-20 — — CN disclosed
CN-118662378-A Active peptide composition with skin photoaging resisting function and preparation method and application thereof 深圳市罗湖区人民医院 2024-09-20 — — CN disclosed
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