SCHEMBL5178745

SCHEMBL5178745

CC(C)(CO)CO.CCCCCC(OC(=O)CCCCC(=O)O)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
CA2 P00918 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5178752 0.90 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1RECQLKMT2A
Phthalic Acid SCHEMBL5178755 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1RECQLKMT2A
SCHEMBL25216767 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1RECQLKMT2A
Phthalic Acid SCHEMBL28828777 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1RECQLKMT2A
Phthalic Acid SCHEMBL28617575 0.77 MEN1 (0.41) ALDH1A1KDM4EMEN1RECQLKMT2A
Phthalic Acid SCHEMBL28338752 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1RECQLKMT2A
SCHEMBL5951005 0.75 LTB4R (0.45) ALDH1A1KMT2AFFAR4FFAR1PPARG
SCHEMBL1071899 0.75 FFAR4 (0.50) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL2822286 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1RECQLKMT2A
Stearic Acid SCHEMBL29264137 0.74 FFAR4 (0.62) ALDH1A1MEN1KMT2ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957116-B1 Energy-curable ethylenically unsaturated compositions MINNESOTA MINING & MFG (US) 2007-06-06 EP disclosed
EP-0726921-B1 ENERGY-CURABLE CYANATE/ETHYLENICALLY UNSATURATED COMPOSITIONS MINNESOTA MINING & MFG (US) 2000-01-12 EP disclosed
EP-0957116-A2 Energy-curable ethylenically unsaturated compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-11-17 EP disclosed
US-5856022-A VIBRATION DAMPING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-05 US disclosed
EP-0726921-A1 ENERGY-CURABLE CYANATE/ETHYLENICALLY UNSATURATED COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-08-21 EP disclosed
WO-1994029369-A1 ENERGY-CURABLE CYANATE/ETHYLENICALLY UNSATURATED COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-12-22 WO disclosed