SCHEMBL3629698

SCHEMBL3629698

CC(C)COC(=O)C(C)(C)N1CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS1 P23219 1/20 0.36
APEX1 P27695 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL2803172 0.81 MAPT (0.38) MEN1KMT2ALMNACYP3A4PMP22
SCHEMBL4321314 0.78 MEN1 (0.33) MEN1KMT2ALMNACYP3A4CYP2C9
SCHEMBL2804738 0.75 KCNQ2 (0.34) KCNQ2
SCHEMBL1721447 0.75 KIT (0.43) MEN1KMT2ALMNACYP3A4CYP2C9
SCHEMBL1973881 0.74 DGAT1 (0.36) NFKB1MAPK1SMN1; SMN2KCNQ2
SCHEMBL4077922 0.70 MEN1 (0.44) MEN1KMT2ALMNACYP3A4CYP2C9
SCHEMBL1969124 0.69 KCNQ2 (0.33) TSHRALDH1A1KCNQ2LIPE
SCHEMBL15025980 0.69 KCNQ2 (0.33) KCNQ2LIPE
SCHEMBL28486528 0.69 RAB9A (0.44) MEN1KMT2ALMNACYP3A4CYP2C9
SCHEMBL1785988 0.68 TSHR (0.46) MEN1KMT2ALMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152865-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2010-02-17 EP disclosed
EP-2081915-A2 BICYCLIC HETEROAROMATIC COMPOUNDS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008140449-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed
WO-2008140450-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed
WO-2008048866-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 WO disclosed