SCHEMBL8043831

SCHEMBL8043831

COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3cccc(F)c3C2)[C@@H]2CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ SCN9A Q15858 9/20 0.35
▸ UCHL1 P09936 1/20 0.32
▸ NAMPT P43490 2/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ DPP8 Q6V1X1 2/20 0.31
▸ DPP9 Q86TI2 2/20 0.31
▸ DPP7 Q9UHL4 2/20 0.31
▸ ABHD6 Q9BV23 1/20 0.31
▸ XIAP P98170 1/20 0.31
▸ BIRC3 Q13489 1/20 0.31
▸ BIRC2 Q13490 1/20 0.31

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
SCHEMBL12192472 0.90 DDB1 (0.34) DDB1CRBNSCN9ANAMPT
SCHEMBL12192457 0.90 DDB1 (0.34) DDB1CRBNSCN9ANAMPT
SCHEMBL12192502 0.89 DDB1 (0.34) DDB1CRBNSCN9ANAMPTDPP8
SCHEMBL12217201 0.84 DDB1 (0.34) DDB1CRBNSCN9ANAMPTDPP8
SCHEMBL8052080 0.82 DDB1 (0.35) DDB1CRBNSCN9ANAMPT
SCHEMBL12549189 0.81 DPP8 (0.37) DDB1CRBNNAMPTDPP8DPP9
SCHEMBL12192481 0.80 — —
SCHEMBL12549469 0.79 DPP8 (0.38) DDB1CRBNDPP8DPP9DPP7
SCHEMBL3375348 0.75 DDB1 (0.36) DDB1CRBN
SCHEMBL13757915 0.73 DDB1 (0.36) DDB1CRBNSCN9A

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-2009070689-A1 BICYCLIC, C5-SUBSTITUTED PROLINE DERIVATIVES AS INHIBITORS OF THE HEPATITIS C VIRUS NS3 PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2009-06-04 — — WO disclosed
Send feedback