SCHEMBL20005315

SCHEMBL20005315

C=C(CC(C)(C)CC(C)(C)CC)NCCCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.34
ACHE P22303 7/20 0.32
MMP2 P08253 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL18950854 0.79 EPHX1 (0.39) EPHX1ACHEMMP2MEN1HTT
SCHEMBL20005340 0.79 CASP2 (0.43) EPHX1ACHEMMP2MEN1KMT2A
SCHEMBL19631511 0.75 EPHX1 (0.42) EPHX1ZDHHC20ZDHHC2
SCHEMBL27253956 0.73 EPHX1 (0.43) EPHX1ZDHHC20ZDHHC2
SCHEMBL20123226 0.72 EPHX1 (0.47) EPHX1ZDHHC20ZDHHC2
SCHEMBL21393320 0.72 EPHX1 (0.47) EPHX1ZDHHC20ZDHHC2
SCHEMBL7796308 0.69
SCHEMBL20785730 0.69 CASP2 (0.32) EPHX1
SCHEMBL25549544 0.69 EPHX1 (0.34) EPHX1ACHEMMP2MEN1HTT
SCHEMBL18559997 0.68 CNR1 (0.30)

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-2018054959-A1 COMPOUNDS FOR TREATMENT OF LIPOPROTEIN METABOLISM DISORDERS AARHUS UNIVERSITET (DK) 2018-03-29 WO disclosed