SCHEMBL9782829

SCHEMBL9782829

CCOC(C)CC(=O)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31
GABRG3 Q99928 2/20 0.31
GABRQ Q9UN88 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8414191 0.84 TDP1 (0.32) FFAR3
SCHEMBL156206 0.82
SCHEMBL18348180 0.82 MGAM (0.38) LMNAKDM4EHSD17B10MGAMGAA
SCHEMBL5972166 0.81 ALDH1A1 (0.35) LMNAALDH1A1
SCHEMBL16411803 0.81 LDHA (0.33) LDHASRRFFAR3EGLN1MGAM
SCHEMBL14408316 0.80 TDP1 (0.41) LMNAALDH1A1
SCHEMBL6510861 0.78 LDHA (0.35) LMNALDHASRRALDH1A1EGLN1
SCHEMBL10045659 0.77 LMNA (0.35) LMNA
Ethylene SCHEMBL7713889 0.75 LMNA (0.50) LMNALDHASRRGABRPGABRD
Acetaldehyde SCHEMBL11125462 0.75 MMP1 (0.34) LMNAGABRPGABRDGABRA1GABRB1

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-5071937-A Storage stability; deblocking, curable by heating MOBAY CORPORATION (US) 1991-12-10 US disclosed
US-4900730-A USING CHELATING AGENT AND SOLVENT; HIGH OSMOTIC PRESSURE TOYO JOZO CO., LTD. (JP) 1990-02-13 US disclosed
US-4794154-A BECOMES UNBLOCKED AT LOW TEMPERATURE BASF CORPORATION (US) 1988-12-27 US disclosed
US-4677180-A DIALKYL MALONATE BLOCKED ISOCYANATE MOBAY CORPORATION (US) 1987-06-30 US disclosed
US-4631087-A ALUMINUM ALKOXIDE, ORGANIC BASE WITH AMMONDA STABILIZER; COPPER, MANGANESE, COBALT, OR ZINC ORGANIC COMPOUND ALCAN INTERNATIONAL LIMITED (CA) 1986-12-23 US disclosed
EP-0148637-B1 IMPROVED SURFACE COATING COMPOSITIONS ALCAN INTERNATIONAL LIMITED (CA) 1986-11-26 EP disclosed
US-4553972-A FLEXIBLE POLYMER, CHELATION SYNTEX (U.S.A.) INC. (US) 1985-11-19 US disclosed
US-4518522-A DI-(ALKYL OR ALKOXYALKYL) MALONATES AND CONTAINING A STABILIZING MONOFUNCTIONAL REACTIVE COMPOUND MOBAY CHEMICAL CORPORATION (US) 1985-05-21 US disclosed
US-4439593-A Polyurethane compositions with improved storage stability MOBAY CHEMICAL CORPORATION (US) 1984-03-27 US disclosed