SCHEMBL31022136

SCHEMBL31022136

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.56
▸ ACE P12821 2/20 0.50
▸ LTA4H P09960 1/20 0.49
▸ ECE1 P42892 5/20 0.48
▸ IL1RN P18510 1/20 0.48
▸ ERAP1 Q9NZ08 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MPO P05164 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ MMP1 P03956 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
SCHEMBL29511056 0.93 ERAP2 (0.58) ERAP2ACELTA4HECE1ERAP1
SCHEMBL29903070 0.93 ERAP2 (0.56) ERAP2ACELTA4HECE1ERAP1
SCHEMBL31239738 0.93 ERAP2 (0.54) ERAP2ACEECE1IL1RNERAP1
SCHEMBL30628999 0.92 ACE (0.57) ACELTA4HECE1KDM4EMEN1
SCHEMBL29577528 0.92 ACE (0.57) ACELTA4HECE1KDM4EMEN1
SCHEMBL29973876 0.92 ACE (0.57) ACELTA4HECE1KDM4EMEN1
SCHEMBL30628987 0.92 ACE (0.57) ACELTA4HECE1KDM4EMEN1
SCHEMBL31259940 0.92 ACE (0.57) ACELTA4HECE1KDM4EMEN1
SCHEMBL31259938 0.92 ACE (0.57) ACELTA4HECE1KDM4EMEN1
SCHEMBL7046020 0.91 ACE (0.60) ACELTA4HECE1KDM4EMEN1

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-118460519-A Amidase mutant and application thereof 台州学院 2024-08-09 — — CN disclosed
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