SCHEMBL754655

SCHEMBL754655

C=CCOC(=O)C(C=CC(=O)O)=CO.C=CCOC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HCAR2 Q8TDS4 8/20 0.37
APP P05067 1/20 0.35
TSHR P16473 6/20 0.34
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL2359268 0.85 MAPT (0.55) MAPTCACNA1BAPBA1HCAR2APP
SCHEMBL2359270 0.85 MAPT (0.55) MAPTCACNA1BAPBA1HCAR2APP
Maleic Acid SCHEMBL28759479 0.85 MAPT (0.48) MAPTCACNA1BAPBA1HCAR2APP
Acrylic Acid Ethyl Ester SCHEMBL10578284 0.81 HCAR2 (0.58) MAPTHCAR2TSHRALDH1A1TP53
Ethylene SCHEMBL436697 0.81 MAPT (0.58) MAPTCACNA1BAPBA1HCAR2APP
Ethylene SCHEMBL436694 0.81 MAPT (0.58) MAPTCACNA1BAPBA1HCAR2APP
SCHEMBL7931246 0.81 MAPT (0.40) MAPTCACNA1BAPBA1HCAR2APP
Ethyl Fumarate SCHEMBL460704 0.79 HCAR2 (0.65) MAPTCACNA1BAPBA1HCAR2APP
Ethyl Fumarate SCHEMBL27854702 0.79 HCAR2 (0.65) MAPTCACNA1BAPBA1HCAR2APP
SCHEMBL254252 0.79 MAPT (0.60) MAPTCACNA1BAPBA1HCAR2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430095-B1 DEFOAMER FORMULATION KEMIRA CHEMICALS INC (US) 2018-03-07 EP disclosed
US-8507597-B2 Polymeric defoamer additive KEMIRA CHEMICALS, INC. (US) 2013-08-13 US disclosed
US-20120264863-A1 POLYMERIC DEFOAMER ADDITIVE KEMIRA CHEMICALS, INC. (US) 2012-10-18 US disclosed
US-8236889-B2 Polymeric defoamer additive KEMIRA CHEMICALS, INC. (US) 2012-08-07 US disclosed
EP-2430095-A2 POLYMERIC DEFOAMER ADDITIVE Martin, James (US) 2012-03-21 EP disclosed
US-20100292380-A1 POLYMERIC DEFOAMER ADDITIVE KEMIRA CHEMICALS, INC. (US) 2010-11-18 US disclosed
WO-2010132262-A2 POLYMERIC DEFOAMER ADDITIVE MARTIN JAMES (US) 2010-11-18 WO disclosed