SCHEMBL8352101

SCHEMBL8352101

CC1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H]1C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ XIAP P98170 2/20 0.33
▸ BIRC3 Q13489 2/20 0.33
▸ BIRC2 Q13490 2/20 0.33
▸ HDAC4 P56524 8/20 0.31
▸ HDAC1 Q13547 8/20 0.31
▸ GAA P10253 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ HDAC6 Q9UBN7 4/20 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
SCHEMBL8001796 0.90 F2 (0.33) F2F10PRSS1XIAPBIRC3
SCHEMBL12820532 0.90 MEN1 (0.36) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL14201556 0.89 SCN9A (0.31) SCN9A
SCHEMBL12820555 0.83 HDAC4 (0.35) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL8003495 0.82 XIAP (0.32) XIAPBIRC3BIRC2HDAC4HDAC1
SCHEMBL15849570 0.81 PSMB9 (0.36) HDAC1HDAC6
SCHEMBL12468417 0.81 PSMB9 (0.36) HDAC1HDAC6
SCHEMBL12467641 0.81 PSMB9 (0.36) HDAC1HDAC6
SCHEMBL13059576 0.81 CTSB (0.41) F2F10PRSS1GAA
SCHEMBL8202772 0.81 CTSB (0.41) F2F10PRSS1GAA

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-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — WO disclosed
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