SCHEMBL31016496

SCHEMBL31016496

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.55
▸ CCKBR P32239 2/20 0.55
▸ CCKAR P32238 1/20 0.55
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSH P09668 1/20 0.51
▸ OPRM1 P35372 2/20 0.50
▸ EDNRA P25101 1/20 0.49
▸ ACE P12821 2/20 0.49
▸ ECE1 P42892 2/20 0.49
▸ MMP2 P08253 2/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ GRPR P30550 1/20 0.48
▸ KDM4E B2RXH2 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
SCHEMBL31016481 0.94 CTSL (0.56) OPRD1CCKBRCTSLCTSSCTSK
SCHEMBL31016477 0.90 MMP2 (0.60) OPRD1CCKBRCCKARCTSLCTSS
SCHEMBL31016488 0.90 ACE (0.51) OPRD1CCKBRCCKAREDNRAACE
SCHEMBL31016480 0.90 CTSL (0.63) OPRD1CCKBRCCKARCTSLCTSS
SCHEMBL31016498 0.90 CCKBR (0.57) OPRD1CCKBRCCKARMMP2MMP8
SCHEMBL31016497 0.90 CCKBR (0.57) OPRD1CCKBRCCKARMMP2MMP8
SCHEMBL31016495 0.90 CCKBR (0.57) OPRD1CCKBRCCKARMMP2MMP8
SCHEMBL31016490 0.90 CCKBR (0.57) OPRD1CCKBRCCKARMMP2MMP8
SCHEMBL31016492 0.88 OPRD1 (0.54) OPRD1CCKBRCCKAROPRM1MMP2
SCHEMBL31016493 0.87 CTSL (0.60) CTSLCTSSCTSKCTSH

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 1 patent. 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 disclosed
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