SCHEMBL550592

SCHEMBL550592

CC(C)(C)OC(=O)N1CCC[C@]2(CCN(c3ccccc3Cl)C2=O)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.57
CYBB P04839 1/20 0.44
NOX5 Q96PH1 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH3 Q9Y5N1 6/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HSD11B1 P28845 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL5424968 0.85 USP30 (0.74) USP30HRH3CYP11B2
SCHEMBL2703017 0.83 HSD11B1 (0.46) USP30HSD11B1
SCHEMBL3700174 0.83 HSD11B1 (0.46) USP30HSD11B1
SCHEMBL30328883 0.81 USP30 (0.50) USP30HRH3HDAC1HDAC8HDAC6
SCHEMBL5428076 0.80 USP30 (0.63) USP30HRH3
SCHEMBL12386415 0.79 HSD11B1 (0.52) USP30CYBBNOX5NOX4NOX1
SCHEMBL27370450 0.77 USP30 (0.52) USP30MEN1KMT2AHRH3HDAC1
SCHEMBL30328325 0.76 USP30 (0.54) USP30HRH3MAPTCYP11B2
SCHEMBL17082036 0.76 USP30 (0.49) USP30MEN1KMT2AHRH3MAPT
SCHEMBL3497947 0.76 USP30 (0.49) USP30MEN1KMT2AHRH3MAPT

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
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed