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SCHEMBL8358448

SCHEMBL8358448

C=CC1C[C@]1(NC(=O)C1C[C@@H](Oc2cc(-c3csc(NC4CCCC4)n3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.72
▸ PPP3CB P16298 1/20 0.72
▸ CYP3A4 P08684 1/20 0.50
▸ ABCC1 P33527 1/20 0.49
▸ ABCC2 Q92887 1/20 0.49
▸ ABCG2 Q9UNQ0 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
SCHEMBL13707453 1.00 CTSB (0.72) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL3373234 0.95 CTSB (0.73) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13521369 0.95 CTSB (0.73) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL14432927 0.94 CTSB (0.74) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8353717 0.93 CTSB (0.70) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8251091 0.93 CTSB (0.74) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8353719 0.93 CTSB (0.62) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8251578 0.92 CTSB (0.69) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8249995 0.92 CTSB (0.73) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8251319 0.92 CTSB (0.73) CTSBPPP3CBCYP3A4ABCC1ABCC2

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-2003064456-A1 TRIPEPTIDES HAVING A HYDROXYPROLINE ETHER OF A SUBSTITUTED QUINOLINE FOR THE INHIBITION OF NS3 (HEPATITIS C) BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-08-07 — — WO disclosed