SCHEMBL2166701

SCHEMBL2166701

CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCCC2)C1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.68
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
EPHX2 P34913 8/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 1/20 0.51
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL15225875 0.94 EPHX1 (0.76) EPHX1HPGDMAPK1EPHX2KMT2A
SCHEMBL1609547 0.94 EPHX1 (0.59) EPHX1HPGDMAPK1EPHX2KMT2A
SCHEMBL3771276 0.94 EPHX1 (0.59) EPHX1HPGDMAPK1EPHX2KMT2A
SCHEMBL609758 0.93 EPHX1 (0.63) EPHX1HPGDMAPK1EPHX2KMT2A
SCHEMBL29979852 0.93 EPHX1 (0.63) EPHX1HPGDMAPK1EPHX2KMT2A
SCHEMBL1437840 0.93 EPHX1 (0.74) EPHX1HPGDMAPK1EPHX2KMT2A
Bicarbonate SCHEMBL9234681 0.92 EPHX1 (0.72) EPHX1HPGDMAPK1EPHX2KMT2A
SCHEMBL23019780 0.89 EPHX1 (0.64) EPHX1HPGDEPHX2KMT2AMEN1
SCHEMBL21324542 0.89 EPHX1 (0.64) EPHX1HPGDEPHX2KMT2AMEN1
SCHEMBL14258606 0.89 ALDH1A1 (0.57) EPHX1HPGDMAPK1EPHX2KMT2A

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