SCHEMBL30632098

SCHEMBL30632098

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.53
▸ PRMT1 Q99873 1/20 0.52
▸ ERAP2 Q6P179 5/20 0.51
▸ ERAP1 Q9NZ08 4/20 0.51
▸ LNPEP Q9UIQ6 4/20 0.51
▸ ECE1 P42892 4/20 0.50
▸ ALOX15 P16050 1/20 0.49

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
SCHEMBL30671629 0.95 ACE (0.56) ACEERAP2ERAP1LNPEPECE1
SCHEMBL31074779 0.95 ACE (0.58) ACEERAP2ERAP1LNPEPECE1
SCHEMBL5326395 0.95 ACE (0.58) ACEERAP2ERAP1LNPEPECE1
SCHEMBL9852014 0.95 ACE (0.58) ACEERAP2ERAP1LNPEPECE1
SCHEMBL29662004 0.95 ACE (0.55) ACEERAP2ERAP1LNPEPECE1
SCHEMBL29924965 0.95 ACE (0.55) ACEERAP2ERAP1LNPEPECE1
SCHEMBL29924961 0.95 ACE (0.55) ACEERAP2ERAP1LNPEPECE1
SCHEMBL31345040 0.94 KISS1R (0.56) ACEPRMT1ERAP2ECE1
SCHEMBL30945412 0.94 ACE (0.54) ACEERAP2ERAP1LNPEPECE1
SCHEMBL29837379 0.94 ACE (0.54) ACEERAP2ERAP1LNPEPECE1

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-111584013-B Method for changing heat stability of xylanase 江南大学 2023-10-27 — — CN disclosed
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