SCHEMBL3944461

SCHEMBL3944461

COC(=O)C(C)CC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DGAT1 O75907 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
ESRRB O95718 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MLYCD O95822 7/20 0.34
CTSK P43235 1/20 0.33

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
SCHEMBL7710903 1.00 CYP2D6 (0.47) CYP2D6CA12CA14HDAC3HDAC1
SCHEMBL3951735 1.00 CYP2D6 (0.47) CYP2D6CA12CA14HDAC3HDAC1
SCHEMBL10703266 0.88 CYP2D6 (0.46) CYP2D6CA12CA14HDAC3HDAC1
SCHEMBL12526882 0.88 CYP2D6 (0.46) CYP2D6CA12CA14HDAC3HDAC1
SCHEMBL14275181 0.84 CYP2D6 (0.40) CYP2D6CA12CA14HDAC3HDAC1
SCHEMBL2310137 0.84 CYP2D6 (0.40) CYP2D6CA12CA14HDAC3HDAC1
SCHEMBL2351134 0.84 CYP2D6 (0.40) CYP2D6CA12CA14HDAC3HDAC1
SCHEMBL1926433 0.82 CYP2D6 (0.42) CYP2D6CA12CA14HDAC3HDAC1
SCHEMBL22035318 0.82 CYP2D6 (0.42) CYP2D6CA12CA14HDAC3HDAC1
SCHEMBL2616309 0.81 CA12 (0.39) CYP2D6CA12CA14HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7512309-B2 Polymer composition, plastic optical fiber, plastic optical fiber cable, and method for manufacturing plastic optical fiber MITSUBISHI RAYON CO, LTD. (JP) 2009-03-31 US disclosed
US-20080166091-A1 Polymer Composition, Plastic Optical Fiber, Plastic Optical Fiber Cable, and Method for Manufacturing Plastic Optical Fiber MITSUBISHI RAYON CO., LTD. (JP) 2008-07-10 US disclosed
EP-1834968-A1 POLYMER COMPOSITION, PLASTIC OPTICAL FIBER, PLASTIC OPTICAL FIBER CABLE AND METHOD FOR PRODUCING PLASTIC OPTICAL FIBER Mitsubishi Rayon Co., Ltd. (JP) 2007-09-19 EP disclosed
EP-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP disclosed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed