SCHEMBL22996115

SCHEMBL22996115

COC(=O)[C@H](CCN=[N+]=[N-])NC(=O)CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ MME P08473 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL20009636 0.87 KMT2A (0.39) KMT2APOLBL3MBTL1TAS1R3TAS1R1
SCHEMBL17747010 0.82 KMT2A (0.44) KMT2APOLB
SCHEMBL17747023 0.82 KMT2A (0.44) KMT2APOLB
SCHEMBL17746958 0.82 NOD1 (0.48) KMT2APOLB
SCHEMBL17746954 0.82 NOD1 (0.48) KMT2APOLB
SCHEMBL20009571 0.80 HDAC8 (0.35) KMT2APOLBL3MBTL1HDAC2
SCHEMBL17746994 0.77 HDAC8 (0.43) KMT2APOLB
SCHEMBL17747018 0.77 HDAC8 (0.43) KMT2APOLB
SCHEMBL17747020 0.77 HDAC8 (0.43) KMT2APOLB
SCHEMBL17746996 0.77 HDAC8 (0.43) KMT2APOLB

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-3778622-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2021-02-17 — — EP disclosed
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