SCHEMBL30997441

SCHEMBL30997441

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.61
▸ ERAP2 Q6P179 1/20 0.59
▸ ECE1 P42892 7/20 0.57
▸ ALOX15 P16050 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MPO P05164 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HIF1A Q16665 1/20 0.56

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
SCHEMBL30284429 0.97 ERAP2 (0.64) ACEERAP2ECE1ALOX15KDM4E
SCHEMBL5822565 0.97 ACE (0.64) ACEERAP2ECE1ALOX15KDM4E
SCHEMBL5735540 0.97 ACE (0.64) ACEERAP2ECE1ALOX15KDM4E
SCHEMBL3053752 0.97 ACE (0.64) ACEERAP2ECE1ALOX15KDM4E
SCHEMBL1898083 0.97 ACE (0.64) ACEERAP2ECE1ALOX15KDM4E
SCHEMBL5970197 0.97 ACE (0.64) ACEERAP2ECE1ALOX15KDM4E
SCHEMBL15004878 0.96 ACE (0.63) ACEERAP2ECE1ALOX15KDM4E
SCHEMBL30903469 0.94 ERAP2 (0.60) ACEERAP2ECE1ALOX15KDM4E
SCHEMBL31074343 0.93 ERAP2 (0.59) ACEERAP2ECE1ALOX15KDM4E
SCHEMBL17941660 0.93 LTA4H (0.59) ACEERAP2KMT2A

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
US-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
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