SCHEMBL29551996

SCHEMBL29551996

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ NOD1 Q9Y239 2/20 0.42
▸ GLP1R P43220 8/20 0.41
▸ POLB P06746 1/20 0.40
▸ CAPN1 P07384 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ EPHX2 P34913 3/20 0.38

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
SCHEMBL29552079 0.94 KMT2A (0.45) KMT2ANOD1GLP1RPOLB
SCHEMBL25581112 0.91 KMT2A (0.49) KMT2ANOD1GLP1RPOLB
SCHEMBL1892939 0.91 KMT2A (0.50) KMT2ANOD1POLB
SCHEMBL1888348 0.91 KMT2A (0.50) KMT2ANOD1POLB
SCHEMBL1892937 0.91 KMT2A (0.50) KMT2ANOD1POLB
SCHEMBL27833151 0.91 KMT2A (0.50) KMT2ANOD1POLB
SCHEMBL1892897 0.91 KMT2A (0.50) KMT2ANOD1POLB
SCHEMBL1891728 0.91 KMT2A (0.50) KMT2ANOD1POLB
SCHEMBL25445243 0.89 KMT2A (0.51) KMT2ANOD1POLB
SCHEMBL12674184 0.89 KMT2A (0.51) KMT2ANOD1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114652813-A Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-06-24 — — CN disclosed
CN-107108698-B Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-04-29 — — CN disclosed
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