SCHEMBL30452439

SCHEMBL30452439

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.62
▸ ECE1 P42892 12/20 0.58
▸ ERAP2 Q6P179 1/20 0.58
▸ MAGI3 Q5TCQ9 1/20 0.56
▸ ALOX15 P16050 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
SCHEMBL31039952 0.90 ACE (0.64) ACEECE1ERAP2MAGI3ALOX15
SCHEMBL31307931 0.90 ERBB2 (0.53) ACEECE1ERAP2MAGI3
SCHEMBL29384048 0.89 ACE (0.59) ACEECE1ERAP2MAGI3
SCHEMBL29470182 0.88 ACE (0.57) ACEECE1ERAP2MAGI3
SCHEMBL29750422 0.88 ACE (0.67) ACEECE1ERAP2ALOX15
SCHEMBL29429568 0.88 ACE (0.67) ACEECE1ERAP2ALOX15
SCHEMBL30052301 0.88 ACE (0.69) ACEECE1ALOX15
SCHEMBL30051087 0.88 ACE (0.75) ACEECE1ERAP2ALOX15
SCHEMBL1228369 0.88 ACE (0.78) ACEECE1ALOX15
SCHEMBL9235801 0.88 ACE (0.78) ACEECE1ALOX15

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-110041427-B Anti-hepcidin antibodies and uses thereof 本质生命科学有限公司 2023-05-23 — — CN disclosed
Send feedback