SCHEMBL5178752

SCHEMBL5178752

CCCCCC(OC(=O)CCCCC(=O)O)OC(=O)c1ccccc1C(=O)OCC(C)(C)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TSHR P16473 5/20 0.41
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40
CA2 P00918 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.36
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
POLB P06746 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
SCHEMBL5178745 0.90 ALDH1A1 (0.54) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL17938342 0.76 TDP1 (0.37) ALDH1A1TSHRCYP3A4MAPK1TP53
SCHEMBL3684486 0.74 TSHR (0.40) ALDH1A1TSHRCYP3A4MAPK1TP53
SCHEMBL21143374 0.73 TSHR (0.55) ALDH1A1TSHRCYP3A4MAPK1TP53
SCHEMBL736748 0.73 FFAR4 (0.48) ALDH1A1TSHRLMNATDP1KDM4E
Dodecane SCHEMBL11247063 0.72 PAM (0.56) ALDH1A1TSHRTDP1KDM4EMEN1
SCHEMBL23611194 0.72 FFAR4 (0.62) ALDH1A1TSHRMAPK1LMNATDP1
Stearic Acid SCHEMBL29264137 0.72 FFAR4 (0.62) ALDH1A1TSHRMAPK1LMNATDP1
Phthalic Acid SCHEMBL5178755 0.72 ALDH1A1 (0.47) ALDH1A1TSHRTDP1KDM4EMEN1
SCHEMBL5951005 0.71 LTB4R (0.45) ALDH1A1KMT2AFFAR4FFAR1

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