SCHEMBL31575706

SCHEMBL31575706

N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)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 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.62
▸ ACE P12821 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MPO P05164 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ ECE1 P42892 5/20 0.52
▸ LTA4H P09960 1/20 0.52
▸ IL1RN P18510 1/20 0.52
▸ ERAP1 Q9NZ08 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL31215422 0.94 ERAP2 (0.64) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL29350328 0.93 ERAP2 (0.65) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL29844860 0.93 ERAP2 (0.65) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL29531178 0.93 ERAP2 (0.71) ERAP2ACEECE1IL1RNERAP1
SCHEMBL31215421 0.92 ERAP2 (0.67) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL29493331 0.91 ERAP2 (0.63) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL29384524 0.91 ERAP2 (0.68) ERAP2ACEKDM4EMEN1LMNA
SCHEMBL18257005 0.91 ERAP2 (0.57) ERAP2ACELTA4HIL1RNERAP1
SCHEMBL17880378 0.91 ERAP2 (0.57) ERAP2ACELTA4HIL1RNERAP1
SCHEMBL30903448 0.91 ERAP2 (0.59) ERAP2ACELTA4HIL1RNERAP1

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-120019812-A Artificial toad venom composition and application thereof 南京中医药大学 2025-05-20 — — CN disclosed
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