SCHEMBL7094471

SCHEMBL7094471

CC(=O)Oc1c(C)cc(OCCN2CCN(OC(=O)C(C)(C)C)CC2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
HTR1A P08908 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HTR7 P34969 1/20 0.36
KCNA5 P22460 2/20 0.35
HTR1B P28222 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7095589 0.80 MEN1 (0.52) ALOX5KDM4ETDP1POLBKMT2A
SCHEMBL8005769 0.77 DRD3 (0.38) KDM4ETDP1HTR1AKMT2AMEN1
SCHEMBL7096822 0.70 HTT (0.45) KDM4EPOLBKMT2AMEN1SMN1; SMN2
SCHEMBL27731418 0.69 LTA4H (0.52) KDM4EKMT2AMEN1KCNA5ALDH1A1
SCHEMBL9015951 0.69 MEN1 (0.55) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL9015990 0.69 HTT (0.44) ALOX5KDM4ETDP1POLBKMT2A
SCHEMBL9053303 0.69 HTT (0.44) ALOX5KDM4EPOLBKMT2AMEN1
SCHEMBL688109 0.68 THRA (0.46) ALOX5POLBKMT2AMEN1ALDH1A1
SCHEMBL27998224 0.66 ALDH1A1 (0.37) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27997972 0.66 PAOX (0.40) KDM4ETDP1KMT2AMEN1SMN1; SMN2

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-0901469-B1 ARYLALKYLPIPERAZINE COMPOUNDS AS ANTIOXIDANTS UNIV MONASH (AU) 2003-08-27 EP disclosed
US-6232314-B1 SUCH AS 1-(2-(4-CHLOROPHENYL)-2-HYDROXY)ETHYL-4-(3,5-BIS(1,1-DIMETHYLETHYL)-4 -HYDROXYPHENYL)METHYLPIPERAZINE; USED TO TREAT STROKE, CARDIAC ARREST, ISCHAEMIA, HYPOXIA, HYPOGLYCAEMIA, EPILEPSY, AND AMYOTROPHIC LATERAL SCLEROSIS MONASH UNIVERSITY (AU) 2001-05-15 US disclosed