SCHEMBL13435865

SCHEMBL13435865

NC(=O)[C@@]12C[C@H]1/C=C\CCCCCCC(=O)N1CCC[C@H]1C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 12/20 0.32
▸ PSMB8 P28062 5/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL8247428 0.91 PSMB9 (0.34) PSMB9PSMB8KDM4EALDH1A1GAA
SCHEMBL12784133 0.86 MEN1 (0.33) —
SCHEMBL8249221 0.84 CTSB (0.41) PSMB9PSMB8
SCHEMBL15509451 0.84 CTSB (0.41) PSMB9PSMB8
SCHEMBL7914476 0.84 CTSB (0.41) PSMB9PSMB8
SCHEMBL15509452 0.84 CTSB (0.41) PSMB9PSMB8
SCHEMBL15509453 0.84 CTSB (0.41) PSMB9PSMB8
SCHEMBL16747642 0.83 PSMB9 (0.32) PSMB9PSMB8ALOX15HSD17B10
SCHEMBL8246800 0.83 CTSB (0.34) PSMB9PSMB8KDM4EALDH1A1MAPT
SCHEMBL18156074 0.82 ALOX15 (0.31) ALOX15HSD17B10

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-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 — — EP disclosed
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