SCHEMBL8220355

SCHEMBL8220355

O=C(N[C@H]1CCCCC/C=C\CC(C(=O)O)NC(=O)C2CCCN2C1=O)OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BIRC3 Q13489 3/20 0.37
▸ XIAP P98170 2/20 0.37
▸ BIRC2 Q13490 2/20 0.37
▸ HDAC4 P56524 7/20 0.35
▸ HDAC1 Q13547 7/20 0.35
▸ ITGB1 P05556 4/20 0.35
▸ ITGA4 P13612 4/20 0.35
▸ HDAC6 Q9UBN7 4/20 0.35
▸ TERF2 Q15554 2/20 0.34
▸ PPIA P62937 2/20 0.34

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
SCHEMBL8224732 0.84 XIAP (0.33) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL1655875 0.83 BIRC3 (0.38) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL8068142 0.81 XIAP (0.33) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL8019153 0.77 GAA (0.35) ITGB1ITGA4
SCHEMBL8293914 0.75 ADRB3 (0.45) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL14623441 0.75 PSMB5 (0.48) BIRC3ITGB1
SCHEMBL12820226 0.74 XIAP (0.35) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL1645089 0.74 F2 (0.37) BIRC3XIAPBIRC2HDAC4HDAC1
SCHEMBL13962141 0.74 ADRB3 (0.39) BIRC3XIAPBIRC2
SCHEMBL8249384 0.73 F2 (0.37) BIRC3XIAPBIRC2HDAC4HDAC1

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
WO-2008021956-A2 ACYLAMINOHETEROARYL HEPATITIS C VIRUS PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
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