SCHEMBL8246800

SCHEMBL8246800

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PSMB9 P28065 12/20 0.32
▸ PSMB8 P28062 5/20 0.32
▸ CTSS P25774 1/20 0.32
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL15509452 0.88 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL15509453 0.88 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL7914476 0.88 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL15509451 0.88 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL8249221 0.88 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL19870671 0.88 CYP3A4 (0.37) CTSBPSMB9PSMB8CTSS
SCHEMBL12784320 0.87 PSMB8 (0.31) CTSBPSMB9PSMB8
SCHEMBL8243810 0.85 PSMB9 (0.33) CTSBPSMB9PSMB8CTSS
SCHEMBL1645323 0.84 CTSB (0.34) CTSBKDM4EALDH1A1MAPTHPGD
SCHEMBL1645325 0.84 CTSB (0.34) CTSBKDM4EALDH1A1MAPTHPGD

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-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 — — WO disclosed
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