SCHEMBL3388233

SCHEMBL3388233

CCC(C)CC(=O)OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
F2 P00734 1/20 0.42
ELANE P08246 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL30354594 0.87 LMNA (0.47) MAPTLMNACYP1A2CYP2D6CYP2C19
SCHEMBL28308325 0.84 TSHR (0.48) LMNATSHRMAPK1HIF1AF2
SCHEMBL28380754 0.83 ALDH1A1 (0.49) MAPTLMNATSHRMAPK1HIF1A
SCHEMBL27541022 0.83 CYP2D6 (0.44) MAPTLMNACYP1A2CYP2D6CYP2C19
SCHEMBL30029663 0.81 L3MBTL1 (0.42) MAPTLMNACYP1A2CYP2D6CYP2C19
SCHEMBL27320354 0.81 TSHR (0.46) LMNATSHRMAPK1HIF1AF2
Methylamine SCHEMBL27679636 0.80 ALDH1A1 (0.46) MAPTLMNATSHRMAPK1HIF1A
SCHEMBL242716 0.80 LMNA (0.57) MAPTLMNACYP1A2CYP2D6CYP2C19
SCHEMBL8853090 0.78 LMNA (0.55) MAPTLMNACYP1A2CYP2D6CYP2C19
SCHEMBL20531234 0.78 LMNA (0.55) MAPTLMNACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327633-B1 Crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo(5.5.0.0.59O3,11)-dodecane ALLIANT TECHSYSTEMS INC (US) 2010-12-15 EP disclosed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN disclosed
CN-101090883-A Substituted hydroxyethylamines ELAN PHARM INC (US) 2007-12-19 CN disclosed
US-7288648-B2 High temperature crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,903,11]-dodecane ALLIANT TECHSYSTEMS INC. (US) 2007-10-30 US disclosed
US-20070225493-A1 Combining CL-20 organic solvent, nonsolvent to form a crystallization solution; saturating the crystallization solution;heating the crystallization solution to a temperature of from about 71 degrees C. to about 94 degrees C.; removing the at least one organic solvent and nonsolvent; separation NORTHROP GRUMMAN SYSTEMS CORPORATION 2007-09-27 US disclosed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN disclosed
US-6992185-B2 Crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,903,11]-dodecane ALLIANT TECHSYSTEMS INC. (US) 2006-01-31 US disclosed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN disclosed
EP-1327633-A1 Crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo(5.5.0.0.59O3,11)-dodecane ALLIANT TECHSYSTEMS INC. (US) 2003-07-16 EP disclosed
US-20030130503-A1 Crystallization of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,903,11]-dodecane NORTHROP GRUMMAN SYSTEMS CORPORATION 2003-07-10 US disclosed