SCHEMBL935798

SCHEMBL935798

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccnc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.38
POLB P06746 1/20 0.36
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
BACE1 P56817 3/20 0.33
METAP1 P53582 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
RAB9A P51151 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
PAX8 Q06710 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL1445867 0.87 PAX8 (0.38) SSTR4POLBTRIM24TRIM33METAP1
SCHEMBL27642687 0.83 SSTR4 (0.38) SSTR4POLBCPB2
SCHEMBL22507878 0.81 POLB (0.35) SSTR4POLBMETAP1GPR119RAB9A
SCHEMBL15466723 0.79 SSTR4 (0.35) SSTR4POLBTRIM24TRIM33
SCHEMBL20631816 0.79 SSTR4 (0.41) SSTR4POLBMETAP1RAB9A
SCHEMBL21855448 0.78 L3MBTL1 (0.48) POLBMETAP1PLCG1
SCHEMBL29450037 0.78 PLCG1 (0.49) SSTR4POLBMETAP1GPR119PLCG1
SCHEMBL15760930 0.78 SSTR4 (0.43) SSTR4POLBTRIM24TRIM33MMP2
SCHEMBL6637277 0.77 POLB (0.34) POLBBACE1GPR119DTYMK
SCHEMBL5834893 0.77 GPR119 (0.38) SSTR4POLBMETAP1GPR119PAX8

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-2454250-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2012-05-23 EP disclosed
WO-2011008709-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-20 WO disclosed