SCHEMBL7760755

SCHEMBL7760755

NC(=O)N(CC1CCCCC1)CC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.67
EPHX1 P07099 5/20 0.43
CYP2D6 P10635 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 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
SCHEMBL3124936 0.83 ALOX5 (0.53) ALOX5EPHX1HDAC1HDAC6
SCHEMBL3115065 0.81 ALOX5 (0.52) ALOX5EPHX1
SCHEMBL9308624 0.80 ALOX5 (1.00) ALOX5EPHX1CYP2D6
SCHEMBL9307728 0.80 ALOX5 (1.00) ALOX5EPHX1CYP2D6
SCHEMBL3567122 0.78 ALOX5 (0.62) ALOX5EPHX1CYP2D6HPGDKMT2A
SCHEMBL9308307 0.77 ALOX5 (1.00) ALOX5EPHX1
SCHEMBL3986170 0.74 ALOX5 (0.48) ALOX5EPHX1
SCHEMBL9308267 0.73 ALOX5 (1.00) ALOX5EPHX1PARP15PARP10
SCHEMBL7471043 0.72 ALOX5 (0.50) ALOX5EPHX1CYP2D6HDAC1HDAC6
SCHEMBL20343561 0.72 ALOX5 (0.47) ALOX5CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104422-A1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-06-06 EP disclosed
WO-2000009507-A1 PHENYL YANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-02-24 WO disclosed