SCHEMBL4564096

SCHEMBL4564096

CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CC1CCN(O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
ABCB1 P08183 1/20 0.41
UCHL1 P09936 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
CETP P11597 4/20 0.35
HSD11B1 P28845 1/20 0.35
SRC P12931 4/20 0.35
PRMT5 O14744 1/20 0.34
HCRTR1 O43613 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
MCL1 Q07820 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
SCHEMBL4298541 1.00 JAK2 (0.42) JAK2JAK1ABCB1UCHL1NR1H2
SCHEMBL7859886 0.84 NR1H2 (0.46) JAK2JAK1ABCB1UCHL1NR1H2
SCHEMBL30207112 0.81 ABCB1 (0.47) JAK2JAK1ABCB1UCHL1NR1H2
SCHEMBL4292542 0.81 ABCB1 (0.47) JAK2JAK1ABCB1UCHL1NR1H2
SCHEMBL4298537 0.80 JAK2 (0.43) JAK2JAK1ABCB1UCHL1NR1H2
SCHEMBL9611279 0.79 ABCB1 (0.60) ABCB1PRMT5MEN1KMT2APARP1
SCHEMBL2707560 0.79 ABCB1 (0.60) ABCB1PRMT5MEN1KMT2APARP1
SCHEMBL3948290 0.79 ABCB1 (0.41) ABCB1UCHL1SRCPRMT5PARP1
SCHEMBL7862914 0.79 ABCB1 (0.41) ABCB1UCHL1SRCPRMT5PARP1
SCHEMBL9138470 0.78 ABCB1 (0.31) ABCB1UCHL1NR1H2

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
WO-2009131973-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO disclosed