SCHEMBL31485773

SCHEMBL31485773

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.62
▸ MME P08473 2/20 0.60
▸ ACE P12821 3/20 0.59
▸ ERAP2 Q6P179 1/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MPO P05164 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ GHSR Q92847 1/20 0.55
▸ CCKAR P32238 1/20 0.55
▸ CCKBR P32239 1/20 0.55
▸ OPRD1 P41143 1/20 0.55
▸ ECE1 P42892 1/20 0.55

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
SCHEMBL29828595 0.98 LTA4H (0.62) LTA4HMMEACEERAP2KMT2A
SCHEMBL29430079 0.97 LTA4H (0.58) LTA4HMMEACEERAP2KMT2A
SCHEMBL29578686 0.95 LTA4H (0.65) LTA4HMMEACEKMT2AKDM4E
SCHEMBL30011211 0.95 LTA4H (0.65) LTA4HMMEACEKMT2AKDM4E
SCHEMBL29577006 0.95 LTA4H (0.65) LTA4HMMEACEKMT2AKDM4E
SCHEMBL29975563 0.95 ACE (0.64) LTA4HACEERAP2KMT2AKDM4E
SCHEMBL30288025 0.94 KMT2A (0.64) LTA4HMMEACEKMT2AKDM4E
SCHEMBL30052812 0.94 KMT2A (0.64) LTA4HMMEACEKMT2AKDM4E
SCHEMBL30010554 0.93 LTA4H (0.65) LTA4HMMEACEKMT2A
SCHEMBL29577205 0.93 LTA4H (0.65) LTA4HMMEACEKMT2A

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-119775355-A PD-resistant sea cucumber peptide, computer simulation screening and synthesis method thereof and application thereof in treating parkinsonism 大连医科大学 2025-04-08 — — CN disclosed
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