SCHEMBL19870671

SCHEMBL19870671

CC1(S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCCCC(=O)N2CCC[C@H]2C(=O)N3)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ CTSB P07858 1/20 0.34
▸ PSMB9 P28065 12/20 0.33
▸ PSMB8 P28062 5/20 0.33
▸ CTSS P25774 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
SCHEMBL15706019 0.91 CYP3A4 (0.39) CYP3A4CTSBCTSS
SCHEMBL12023496 0.90 CYP3A4 (0.38) CYP3A4CTSBCTSS
SCHEMBL13071881 0.88 CYP3A4 (0.37) CYP3A4CTSBCTSS
SCHEMBL8246800 0.88 CTSB (0.34) CTSBPSMB9PSMB8CTSS
SCHEMBL15509452 0.87 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL15509453 0.87 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL15509451 0.87 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL7914476 0.87 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL8249221 0.87 CTSB (0.41) CTSBPSMB9PSMB8CTSS
SCHEMBL15685798 0.87 CYP3A4 (0.43) CYP3A4CTSB

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-2018028634-A1 SALTS AS HCV INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-15 — — WO disclosed
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