SCHEMBL31016488

SCHEMBL31016488

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.51
▸ ECE1 P42892 6/20 0.51
▸ MMP2 P08253 2/20 0.50
▸ CCKAR P32238 2/20 0.50
▸ CCKBR P32239 2/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ ERAP2 Q6P179 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ P2RY14 Q15391 1/20 0.49
▸ EDNRA P25101 1/20 0.48

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
SCHEMBL31016496 0.90 OPRD1 (0.55) ACEECE1MMP2CCKARCCKBR
SCHEMBL31016486 0.89 CTSL (0.55) CCKARCCKBROPRD1
SCHEMBL31016482 0.87 CTSL (0.54) —
SCHEMBL29655540 0.86 ACE (0.55) ACEECE1ERAP2
SCHEMBL31419492 0.86 ACE (0.55) ACEECE1
SCHEMBL31571452 0.86 MMP2 (0.58) ACEECE1MMP2CCKARCCKBR
SCHEMBL31016481 0.86 CTSL (0.56) CCKBROPRD1
SCHEMBL31016495 0.86 CCKBR (0.57) MMP2CCKARCCKBRMMP8OPRD1
SCHEMBL31016497 0.86 CCKBR (0.57) MMP2CCKARCCKBRMMP8OPRD1
SCHEMBL30988538 0.85 ERAP2 (0.56) ACEECE1MMP1ERAP2

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-118402973-A Application of Qiya seed peptide and derivatives thereof in cosmetics 上海湃肽生物科技有限公司 2024-07-30 — — CN claimed
CN-118402973-A Application of Qiya seed peptide and derivatives thereof in cosmetics 上海湃肽生物科技有限公司 2024-07-30 — — CN disclosed
CN-118402973-A Application of Qiya seed peptide and derivatives thereof in cosmetics 上海湃肽生物科技有限公司 2024-07-30 — — CN disclosed
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