SCHEMBL6380333

SCHEMBL6380333

CC(C)(C)OC(=O)CNCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
EPHX1 P07099 5/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL30028645 0.91 KMT2A (0.41) KDM4EEPHX1KMT2ACTSSCTSK
SCHEMBL12068783 0.83 ALOX15 (0.42) KDM4EEPHX1KMT2AEPHX2
SCHEMBL6018553 0.82 KMT2A (0.36) KDM4EKMT2AMEN1ATMMAPT
SCHEMBL6018556 0.82 KMT2A (0.36) KDM4EKMT2AMEN1ATMMAPT
SCHEMBL5024026 0.82 KMT2A (0.54) KDM4EKMT2AMEN1ATMPOLB
SCHEMBL22096239 0.82 EPHX2 (0.51) KDM4EEPHX1KMT2APOLBADH1B
SCHEMBL9544427 0.82 EPHX2 (0.51) KDM4EEPHX1KMT2APOLBADH1B
SCHEMBL588154 0.82 EPHX1 (0.41) EPHX1KMT2AMEN1ATMMAPT
SCHEMBL4662750 0.82 EPHX2 (0.51) KDM4EEPHX1KMT2APOLBADH1B
SCHEMBL25762558 0.82 NAMPT (0.33) KDM4EKMT2AMEN1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed
EP-1150946-B1 ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA GMBH (DE) 2005-03-30 EP disclosed
US-6759420-B1 LOW MOLECULAR WEIGHT, FACTOR XA SPECIFIC BLOOD CLOTTING INHIBITORS WITHOUT SIDE EFFECTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
EP-1150946-A1 ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
CN-1318059-A Isoquinolines as urokinase inhibitors PFIZER (US) 2001-10-17 CN disclosed
EP-1022268-A1 Arylalkanoyl derivatives, processes for their preparation, their use and pharmaceutical compositions containing them Aventis Pharma Deutschland GmbH (DE) 2000-07-26 EP disclosed
WO-2000040548-A1 ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-07-13 WO disclosed