SCHEMBL5157563

SCHEMBL5157563

CCC(C(=O)[O-])=C(CC)C(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
FABP3 P05413 6/20 0.39
CA2 P00918 1/20 0.37
PPARG P37231 4/20 0.35
PPARD Q03181 4/20 0.35
PPARA Q07869 4/20 0.35
TSHR P16473 3/20 0.35
GPR84 Q9NQS5 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
TLR2 O60603 1/20 0.35
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35
FABP4 P15090 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN1 P18031 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
SCHEMBL809702 1.00 CES2 (0.41) CES2CES1FABP3CA2PPARG
SCHEMBL674251 0.92 CA1 (0.38) CES2CES1FABP3CA2
SCHEMBL477424 0.92 CA1 (0.38) CES2CES1FABP3CA2
SCHEMBL3767401 0.89 CES2 (0.45) CES2CES1FABP3PPARGPPARD
SCHEMBL3767406 0.89 CES2 (0.45) CES2CES1FABP3PPARGPPARD
Oxalic Acid SCHEMBL10749415 0.87 CES2 (0.48) CES2CES1FABP3CA2PPARG
SCHEMBL383230 0.86 CES2 (0.50) CES2CES1FABP3PPARGPPARD
SCHEMBL5266747 0.86 CES2 (0.50) CES2CES1FABP3PPARGPPARD
SCHEMBL5266753 0.86 CES2 (0.50) CES2CES1FABP3PPARGPPARD
SCHEMBL383228 0.86 CES2 (0.50) CES2CES1FABP3PPARGPPARD

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
EP-1471113-B1 Curable composition KANEKA CORP (JP) 2007-08-15 EP disclosed
US-7176269-B2 Curable composition and its use MITSUI CHEMICALS, INC. (JP) 2007-02-13 US disclosed
EP-1304354-B1 CURABLE COMPOSITION AND USES THEREOF MITSUI CHEMICALS INC (JP) 2007-01-24 EP disclosed
US-20070015893-A1 Curable composition and its use MITSUI CHEMICALS, INC. 2007-01-18 US disclosed
US-7019074-B2 Curable composition KANEKA CORPORATION (JP) 2006-03-28 US disclosed
US-20040214950-A1 Curable composition KANEKA CORPORATION (JP) 2004-10-28 US disclosed
EP-1471113-A1 Curable composition Kaneka Corporation (JP) 2004-10-27 EP disclosed
US-20030096904-A1 Curable composition and its use MITSUI CHEMICALS, INC. (JP) 2003-05-22 US disclosed
EP-1304354-A1 CURABLE COMPOSITION AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2003-04-23 EP disclosed