SCHEMBL2146121

SCHEMBL2146121

O=C(NC1CCCC1)C1CCN(C(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.58
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL28586012 0.93 MAPK1 (0.53) EPHX2MAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL3756652 0.93 MAPK1 (0.53) EPHX2MAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL4270527 0.93 MAPK1 (0.53) EPHX2MAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL29117235 0.92 ALDH1A1 (0.60) EPHX2MAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL29117233 0.92 ALDH1A1 (0.60) EPHX2MAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL1437945 0.89 EPHX2 (0.61) EPHX2MAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL4779124 0.86 ALDH1A1 (0.54) EPHX2MAPK1ALDH1A1L3MBTL1GAA
SCHEMBL16992397 0.82 MAPK1 (0.55) EPHX2MAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL4117275 0.79 KDM5A (0.49) EPHX2ALDH1A1L3MBTL1
SCHEMBL1624691 0.79 KDM5A (0.52) ALDH1A1

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