SCHEMBL2154251

SCHEMBL2154251

CC(C)(C)OC(=O)N1CCC(OCCCN2CCOCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
EPHX2 P34913 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
PIK3CD O00329 2/20 0.40
THRB P10828 2/20 0.40
USP30 Q70CQ3 1/20 0.39
LIPG Q9Y5X9 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
SCHEMBL2154252 1.00 RECQL (0.49) RECQLUSP2SMN1; SMN2PRMT5WDR77
SCHEMBL14681442 0.92 SMN1; SMN2 (0.51) RECQLUSP2SMN1; SMN2PRMT5WDR77
SCHEMBL77972 0.85 RECQL (0.56) RECQLUSP2SMN1; SMN2PRMT5WDR77
SCHEMBL14681648 0.84 SMN1; SMN2 (0.54) RECQLUSP2SMN1; SMN2PRMT5WDR77
SCHEMBL13107602 0.81 PRMT5 (0.46) RECQLPRMT5WDR77PIK3CDUSP30
SCHEMBL28684525 0.81 PRMT5 (0.46) RECQLUSP2SMN1; SMN2PRMT5WDR77
SCHEMBL21777218 0.79 PRMT5 (0.44) RECQLPRMT5WDR77PIK3CDUSP30
SCHEMBL21767695 0.79 PRMT5 (0.44) RECQLPRMT5WDR77PIK3CDUSP30
SCHEMBL21767794 0.79 PRMT5 (0.44) RECQLPRMT5WDR77PIK3CDUSP30
SCHEMBL21767696 0.79 PRMT5 (0.44) RECQLPRMT5WDR77PIK3CDUSP30

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-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed