SCHEMBL1554587

SCHEMBL1554587

CCC(=O)N1CCN(C(CC2CCCC2)C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
HSD11B1 P28845 1/20 0.40
TP53 P04637 1/20 0.39
DPP4 P27487 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
SIGMAR1 Q99720 2/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 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
SCHEMBL1554795 0.75 EPHX2 (0.49) EPHX2HSD11B1TP53ALDH1A1SIGMAR1
SCHEMBL931735 0.72 BLM (0.41) EPHX2TP53ALDH1A1BLM
SCHEMBL21870702 0.69 LMNA (0.42) TP53ALDH1A1LMNACA12CA1
SCHEMBL3653777 0.69 SIGMAR1 (0.40) SIGMAR1
SCHEMBL12876362 0.68 EPHX2 (0.46) EPHX2ALDH1A1
SCHEMBL946054 0.68 KDM4E (0.38) TP53ALDH1A1BLM
SCHEMBL2739418 0.68 BLM (0.57) EPHX2ALDH1A1LMNABLM
SCHEMBL20756575 0.68 BLM (0.57) EPHX2ALDH1A1LMNABLM
SCHEMBL180620 0.68
SCHEMBL943648 0.68 CHRM1 (0.36) DPP4ALDH1A1SIGMAR1

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 claimed