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SCHEMBL9978786

SCHEMBL9978786

C=CCCCCCC(O)C(=O)N1C[C@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C(=O)NC1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C=C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CTSB P07858 1/20 0.46
▸ PPP3CB P16298 1/20 0.46
▸ ELANE P08246 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CFD P00746 1/20 0.37

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
SCHEMBL9978716 1.00 CTSS (0.48) CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL9978806 0.94 CTSS (0.47) CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL7873713 0.93 CTSS (0.46) CTSSCYP3A4CTSBPPP3CB
SCHEMBL9978717 0.92 CYP3A4 (0.47) CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL7873712 0.92 CTSS (0.46) CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL9978810 0.92 CYP3A4 (0.48) CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL9978670 0.92 CTSS (0.48) CTSSCYP3A4CTSBPPP3CBELANE
SCHEMBL9978932 0.91 CTSB (0.52) CTSSCYP3A4CTSBPPP3CB
SCHEMBL9978928 0.91 CTSB (0.52) CTSSCYP3A4CTSBPPP3CB
SCHEMBL7873736 0.91 CTSS (0.47) CTSSCYP3A4CTSBPPP3CBELANE

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-2011150190-A2 HCV INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2011-12-01 — — WO disclosed