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SCHEMBL8298389

SCHEMBL8298389

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(C(=O)CC)nc3c(C)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)OC

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.63
▸ PPP3CB P16298 1/20 0.63
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL12633015 0.95 CTSB (0.64) CTSBPPP3CBCYP3A4
SCHEMBL13707446 0.94 CTSB (0.63) CTSBPPP3CBCYP3A4
SCHEMBL12140945 0.94 CTSB (0.65) CTSBPPP3CBCYP3A4
SCHEMBL10137233 0.94 CTSB (0.63) CTSBPPP3CBCYP3A4
SCHEMBL13409509 0.92 CTSB (0.62) CTSBPPP3CBCYP3A4
SCHEMBL12633013 0.91 CTSB (0.60) CTSBPPP3CBCYP3A4
SCHEMBL14392919 0.90 CTSB (0.58) CTSBPPP3CBCYP3A4
SCHEMBL10137181 0.90 CTSB (0.60) CTSBPPP3CBCYP3A4
SCHEMBL10137142 0.89 CTSB (0.72) CTSBPPP3CBCYP3A4
SCHEMBL13707444 0.89 CTSB (0.72) CTSBPPP3CBCYP3A4

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-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 — — WO disclosed