SCHEMBL3392488

SCHEMBL3392488

CC(C)(C)OC(=O)N1CCCC1C(=O)OC(CC1OCCCO1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 3/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ KLK7 P49862 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL13635827 0.97 NPC1 (0.45) UCHL1NPC1KLK7USP30LMNA
SCHEMBL10201472 0.87 NPC1 (0.48) UCHL1NPC1KLK7USP30LMNA
SCHEMBL13639050 0.85 NPC1 (0.47) UCHL1NPC1KLK7USP30LMNA
SCHEMBL10182263 0.84 NPC1 (0.46) UCHL1NPC1KLK7USP30LMNA
SCHEMBL10121193 0.81 NPC1 (0.51) UCHL1NPC1KLK7USP30LMNA
SCHEMBL19488759 0.81 NPC1 (0.43) UCHL1NPC1KLK7USP30LMNA
SCHEMBL692265 0.79 KMT2A (0.48) UCHL1NPC1KLK7USP30LMNA
SCHEMBL692266 0.79 KMT2A (0.48) UCHL1NPC1KLK7USP30LMNA
SCHEMBL12159690 0.78 NPC1 (0.50) UCHL1NPC1KLK7USP30LMNA
SCHEMBL14037470 0.76 NPC1 (0.58) UCHL1NPC1USP30LMNANPSR1

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-2242752-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-27 — — EP disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
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