SCHEMBL1173073

SCHEMBL1173073

CC(=CC(C)(C)C)C(=O)O.CC(=CC=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
GRIK1 P39086 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 1/20 0.35
MCL1 Q07820 1/20 0.35
EGFR P00533 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 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
SCHEMBL2363128 0.91 LMNA (0.46) LMNAAKR1C3ALDH1A1KDM4EGAA
SCHEMBL6672472 0.81 KDM4E (0.44) LMNAAKR1C3ALDH1A1KDM4EGAA
SCHEMBL5661958 0.81 KDM4E (0.57) LMNAALDH1A1KDM4EGAAGRIK1
Acrylonitrile SCHEMBL22207118 0.81 MCL1 (0.43) LMNAALDH1A1KDM4EGAAGRIK1
SCHEMBL3804001 0.78 GRIK1 (0.48) LMNAAKR1C3ALDH1A1KDM4EGAA
SCHEMBL693055 0.77 AKR1C3 (0.59) LMNAAKR1C3ALDH1A1KDM4EGAA
SCHEMBL16462 0.77 AKR1C3 (0.59) LMNAAKR1C3ALDH1A1KDM4EGAA
SCHEMBL10454886 0.77 AKR1C3 (0.59) LMNAAKR1C3ALDH1A1KDM4EGAA
SCHEMBL4355988 0.76 GAA (0.51) LMNAAKR1C3ALDH1A1KDM4EGAA
SCHEMBL435341 0.76 GAA (0.51) LMNAAKR1C3ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028633-A1 Dispersing Agents in Nanocomposites MOAD GRAEME 2011-02-03 US disclosed
US-7837899-B2 Dispersing agents in nanocomposites POLYMERS AUSTRALIA PTY. LTD. (AU) 2010-11-23 US disclosed
US-20070072979-A1 Dispersing agents in nanocomposites POLYMERS AUSTRALIA PTY, LIMITED (AU) 2007-03-29 US disclosed
EP-1493015-A4 ANALYTE SENSOR POWERZYME INC (US) 2006-01-04 EP disclosed
EP-1599500-A1 DISPERSING AGENTS IN NANOCOMPOSITES Polymers Australia PTY Limited (AU) 2005-11-30 EP disclosed
EP-1493015-A1 ANALYTE SENSOR Powerzyme, Inc. (US) 2005-01-05 EP disclosed
WO-2004078785-A1 DISPERSING AGENTS IN NANOCOMPOSITES POLYMERS AUSTRALIA PTY. LIMITED (AU) 2004-09-16 WO disclosed
US-20030228681-A1 Analyte sensor POWERZYME, INC. 2003-12-11 US disclosed
WO-2003087783-A1 ANALYTE SENSOR POWERZYME, INC. (US) 2003-10-23 WO disclosed