SCHEMBL3645554

SCHEMBL3645554

COC(=O)[C@H]1C[C@H](OC(=O)N2Cc3cccc(Cl)c3C2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
P2RX3 P56373 1/20 0.39
UCHL1 P09936 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTPN1 P18031 1/20 0.38
NAMPT P43490 4/20 0.38
STS P08842 1/20 0.37
MAPK1 P28482 1/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
ABHD6 Q9BV23 1/20 0.34
TRAP1 Q12931 1/20 0.34

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
SCHEMBL1634817 1.00 DDB1 (0.42) DDB1CRBNP2RX3UCHL1NR1H2
SCHEMBL1634816 1.00 DDB1 (0.42) DDB1CRBNP2RX3UCHL1NR1H2
SCHEMBL7945530 1.00 DDB1 (0.42) DDB1CRBNP2RX3UCHL1NR1H2
SCHEMBL8261917 0.91 DDB1 (0.43) DDB1CRBNP2RX3UCHL1NR1H2
SCHEMBL1635987 0.91 DDB1 (0.43) DDB1CRBNUCHL1NAMPTSTS
SCHEMBL3691730 0.91 DDB1 (0.43) DDB1CRBNUCHL1NAMPTSTS
SCHEMBL3691732 0.91 DDB1 (0.43) DDB1CRBNUCHL1NAMPTSTS
SCHEMBL14963381 0.90 DDB1 (0.42) DDB1CRBNP2RX3UCHL1NR1H2
SCHEMBL6913773 0.90 DDB1 (0.42) DDB1CRBNP2RX3UCHL1NR1H2
SCHEMBL4655478 0.90 DDB1 (0.42) DDB1CRBNP2RX3UCHL1NR1H2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 EP disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 WO disclosed