SCHEMBL7553236

SCHEMBL7553236

[CH2]CCCCCCC(=O)N(C)CCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
ALDH1A1 P00352 1/20 0.42
BCHE P06276 6/20 0.41
ACHE P22303 6/20 0.41
CNR1 P21554 1/20 0.41
KDM4C Q9H3R0 8/20 0.40
KDM5A P29375 6/20 0.40
PHF8 Q9UPP1 2/20 0.39
KDM4A O75164 2/20 0.39
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL7558693 1.00 EPHX2 (0.47) EPHX2ALDH1A1BCHEACHECNR1
SCHEMBL7555480 1.00 EPHX2 (0.47) EPHX2ALDH1A1BCHEACHECNR1
SCHEMBL7552637 1.00 EPHX2 (0.47) EPHX2ALDH1A1BCHEACHECNR1
SCHEMBL5206157 0.92 ALDH1A1 (0.45) EPHX2ALDH1A1BCHEACHECNR1
SCHEMBL7559173 0.91 EPHX2 (0.54) EPHX2ALDH1A1BCHEACHECNR1
SCHEMBL7556509 0.91 EPHX2 (0.54) EPHX2ALDH1A1BCHEACHECNR1
SCHEMBL7554568 0.91 EPHX2 (0.54) EPHX2ALDH1A1BCHEACHECNR1
SCHEMBL7559535 0.91 EPHX2 (0.54) EPHX2ALDH1A1BCHEACHECNR1
SCHEMBL7555063 0.91 EPHX2 (0.54) EPHX2ALDH1A1BCHEACHECNR1
SCHEMBL8778605 0.89 EPHX2 (0.60) EPHX2ALDH1A1BCHEACHECNR1

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
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed