SCHEMBL29851664

SCHEMBL29851664

NC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.38
▸ ECE1 P42892 3/20 0.33
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 1/20 0.32
▸ CA2 P00918 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL29913867 0.95 ECE1 (0.36) MMEECE1ITGB2ICAM1ITGAL
SCHEMBL5318838 0.93 UTS2R (0.32) MMEECE1
SCHEMBL5318831 0.93 UTS2R (0.32) MMEECE1
SCHEMBL29461516 0.92 MME (0.44) MME
SCHEMBL29708173 0.91 MME (0.46) MMEECE1
SCHEMBL29630501 0.91 BACE1 (0.34) MMEECE1BACE1
SCHEMBL29373629 0.89 ECE1 (0.39) MMEECE1ITGB2ICAM1ITGAL
SCHEMBL30209180 0.89 PDCD1LG2 (0.36) MMEECE1ITGB2ICAM1ITGAL
SCHEMBL31229006 0.88 ACE (0.38) MME
SCHEMBL5318834 0.88 MME (0.35) MME

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
EP-4037715-A1 PROTEIN-MACROMOLECULE CONJUGATES AND METHODS OF USE THEREOF Beijing Xuanyi Pharmasciences Co., Ltd. (CN) 2022-08-10 — — EP disclosed
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