SCHEMBL1554795

SCHEMBL1554795

CCC(=O)N1CCN(C(C(N)=O)C2CCCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
EPHX1 P07099 3/20 0.40
HSD11B1 P28845 2/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP6 P55212 1/20 0.35
BLM P54132 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
TP53 P04637 2/20 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
SCHEMBL944062 0.80 EPHX1 (0.46) EPHX1KDM4E
SCHEMBL14655522 0.79 EPHX1 (0.52) EPHX1TSHR
SCHEMBL1554587 0.75 EPHX2 (0.41) EPHX2HSD11B1CASP6BLMALDH1A1
SCHEMBL1553960 0.75 SIGMAR1 (0.47) EPHX1POLBKDM4EALDH1A1SIGMAR1
SCHEMBL6187047 0.73 EPHX1 (0.46) EPHX1SIGMAR1
SCHEMBL931735 0.73 BLM (0.41) EPHX2POLBKDM4EBLMTSHR
SCHEMBL1555148 0.72 EPHX1 (0.39) EPHX1POLBKDM4EPKMTSHR
SCHEMBL975191 0.70 KDM4E (0.64) EPHX2EPHX1KDM4ECASP6ALDH1A1
SCHEMBL13453030 0.69 EPHX2 (0.54) EPHX2POLBKDM4ETSHRALDH1A1
SCHEMBL12518918 0.69 ALDH1A1 (0.70) EPHX2HSD11B1TSHRALDH1A1SIGMAR1

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-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed