SCHEMBL8244941

SCHEMBL8244941

COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@H](C)NC(=O)Oc1ccc([N+](=O)[O-])cc1)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ AGTR2 P50052 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 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
SCHEMBL14583933 0.88 F13A1 (0.41) —
SCHEMBL14569797 0.88 F13A1 (0.41) —
SCHEMBL12142687 0.88 F13A1 (0.41) —
SCHEMBL7850110 0.88 F13A1 (0.41) —
SCHEMBL12600876 0.86 F13A1 (0.41) MGLLMMP2ANPEPGAAMAPT
SCHEMBL12141232 0.86 THRB (0.36) MGLLMMP2ANPEPGAAMAPT
SCHEMBL14073406 0.85 AGTR2 (0.40) MGLLMMP2ANPEPGAAMAPT
SCHEMBL8280794 0.83 ALDH1A1 (0.35) MGLLMMP2ANPEPGAAMAPT
SCHEMBL16313133 0.78 MGLL (0.35) MGLLGAAALDH1A1
SCHEMBL30556816 0.74 — —

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
WO-2006130666-A2 MEDICAMENTS AND METHODS COMBINING A HCV PROTEASE INHIBITOR AND AN AKR COMPETITOR SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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