SCHEMBL11010488

SCHEMBL11010488

CC(C)(C)OC(=O)CCCCCCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SOAT1 P35610 2/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
DGKA P23743 1/20 0.38
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.35

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
SCHEMBL23601578 1.00 EPHX2 (0.44) EPHX2MAOAMAOBHDAC1HDAC2
SCHEMBL12315998 1.00 EPHX2 (0.44) EPHX2MAOAMAOBHDAC1HDAC2
SCHEMBL17760173 1.00 EPHX2 (0.44) EPHX2MAOAMAOBHDAC1HDAC2
SCHEMBL17760450 1.00 EPHX2 (0.44) EPHX2MAOAMAOBHDAC1HDAC2
SCHEMBL23601628 1.00 EPHX2 (0.44) EPHX2MAOAMAOBHDAC1HDAC2
SCHEMBL11098531 0.98 EPHX2 (0.42) EPHX2MAOAMAOBHDAC1HDAC2
SCHEMBL6050144 0.93 TSHR (0.42) EPHX2MAOAMAOBHDAC1HDAC2
Hydrazine SCHEMBL10768065 0.91 EPHX2 (0.46) EPHX2MAOAMAOBHDAC1HDAC2
SCHEMBL20450540 0.91 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8
SCHEMBL14482131 0.91 EPHX2 (0.49) EPHX2HDAC1HDAC2HDAC6HDAC8

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-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 EP disclosed