SCHEMBL30685124

SCHEMBL30685124

N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ MMP12 P39900 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ GPR132 Q9UNW8 4/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ CTSC P53634 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ECE1 P42892 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ TBXAS1 P24557 1/20 0.42
▸ CMKLR2 P46091 1/20 0.42
▸ CMKLR1 Q99788 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4198783 0.91 GPR132 (0.52) MMEKDM4ENAPRTGPR132MMP9
SCHEMBL29413325 0.89 MME (0.49) MMEKDM4ENAPRTGPR132CTSC
SCHEMBL29383060 0.89 MME (0.49) MMEKDM4ENAPRTGPR132CTSC
SCHEMBL31016499 0.89 OPRD1 (0.45) MMEKDM4EMMP9MMP8GAA
SCHEMBL29375944 0.88 NAALAD2 (0.51) MMP12NAPRTGPR132MMP9MMP8
SCHEMBL29743017 0.88 ECE1 (0.51) MMEKDM4EGPR132CTSCECE1
SCHEMBL2878352 0.85 MME (0.66) MMECTSCGAAMAPT
SCHEMBL29498365 0.85 MME (0.66) MMECTSCGAAMAPT
SCHEMBL4778524 0.85 MME (0.66) MMECTSCGAAMAPT
SCHEMBL30019030 0.84 ERAP2 (0.48) KDM4EGPR132ECE1CYP3A4

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-117088944-B Pentapeptide, composition and application thereof 深圳市维琪科技股份有限公司 2023-12-19 — — CN disclosed
CN-117088944-A Pentapeptide, composition and application thereof 深圳市维琪科技股份有限公司 2023-11-21 — — CN disclosed
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