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SCHEMBL8130336

SCHEMBL8130336

C=CC1C[C@]1(NC(=O)C1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)C(NC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.75
▸ PPP3CB P16298 1/20 0.75
▸ ABCC1 P33527 1/20 0.66
▸ ABCC2 Q92887 1/20 0.66
▸ ABCG2 Q9UNQ0 1/20 0.66
▸ CYP3A4 P08684 2/20 0.44
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41

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
SCHEMBL10220993 1.00 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL13662172 1.00 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10220311 1.00 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL14731781 1.00 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL11952228 1.00 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL11952943 1.00 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10220981 1.00 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL14864651 1.00 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL10220301 1.00 CTSB (0.75) CTSBPPP3CBABCC1ABCC2ABCG2
SCHEMBL8136974 1.00 CTSB (0.75) 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