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Sugi Predict / Compounds / SCHEMBL9978732

SCHEMBL9978732

SCHEMBL9978732

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)OCC(C)C)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.48
▸ PPP3CB P16298 1/20 0.48
▸ CTSS P25774 1/20 0.41
▸ CYP3A4 P08684 1/20 0.36
▸ ABCC1 P33527 1/20 0.34
▸ ABCC2 Q92887 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ POLB P06746 1/20 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
SCHEMBL9978730 0.91 CTSB (0.50) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL7936992 0.89 CTSB (0.48) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL1688355 0.87 CTSB (0.53) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL9978932 0.84 CTSB (0.52) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL9978928 0.84 CTSB (0.52) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL19870669 0.84 CTSB (0.50) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL18018753 0.84 CTSB (0.50) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL2215312 0.84 CTSB (0.48) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL8242872 0.84 CTSB (0.48) CTSBPPP3CBCTSSCYP3A4ABCC1
SCHEMBL7925314 0.84 CTSB (0.52) CTSBPPP3CBCTSSCYP3A4ABCC1

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