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SCHEMBL8137707

SCHEMBL8137707

C=CC1C[C@]1(NC(=O)C1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3cc(OCC(=O)OC)ccc23)CN1C(=O)C(NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.64
▸ PPP3CB P16298 1/20 0.64
▸ ABCC1 P33527 1/20 0.59
▸ ABCC2 Q92887 1/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.59
▸ CYP3A4 P08684 2/20 0.44

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
SCHEMBL16579248 1.00 CTSB (0.64) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13083056 1.00 CTSB (0.64) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10221001 1.00 CTSB (0.64) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10220318 1.00 CTSB (0.64) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL16579205 0.96 CTSB (0.65) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10220320 0.96 CTSB (0.65) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10220999 0.96 CTSB (0.65) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8132460 0.96 CTSB (0.65) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13083151 0.96 CTSB (0.65) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13083226 0.96 CTSB (0.65) CTSBPPP3CBABCC1ABCC2ABCG2

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-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — WO disclosed