SCHEMBL17749221

SCHEMBL17749221

COC(=O)[C@H](CCN=[N+]=[N-])NCCCCCCCCCCC(=O)CCCCCCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.36
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL17749242 1.00 HDAC8 (0.36) HDAC8EPHX2
SCHEMBL17747018 0.84 HDAC8 (0.43) HDAC8
SCHEMBL17746996 0.84 HDAC8 (0.43) HDAC8
SCHEMBL17746994 0.84 HDAC8 (0.43) HDAC8
SCHEMBL17747020 0.84 HDAC8 (0.43) HDAC8
SCHEMBL17749224 0.80 EPHX2 (0.40) HDAC8EPHX2
SCHEMBL20009571 0.78 HDAC8 (0.35) HDAC8
SCHEMBL17746953 0.76 NOD1 (0.44) HDAC8
SCHEMBL17746956 0.76 NOD1 (0.44) HDAC8
SCHEMBL17746938 0.76 NOD1 (0.44) HDAC8

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
EP-3218392-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2017-09-20 — — EP disclosed
WO-2016077518-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
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