SCHEMBL6898244

SCHEMBL6898244

C=C(C)C(=O)OC(C)OC(=O)/C=C\C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.55
TSHR P16473 3/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 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

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
SCHEMBL1463616 1.00 HCAR2 (0.55) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL1463611 0.93 HCAR2 (0.42) HCAR2TSHRALDH1A1
SCHEMBL9155941 0.93 HCAR2 (0.42) HCAR2TSHRALDH1A1
SCHEMBL9162974 0.93 HCAR2 (0.42) HCAR2TSHRALDH1A1
SCHEMBL10613464 0.84 TSHR (0.37) HCAR2TSHRALDH1A1
SCHEMBL10613451 0.84 TSHR (0.37) HCAR2TSHRALDH1A1
SCHEMBL28908593 0.81 HCAR2 (0.63) HCAR2TSHRALDH1A1KDM4EMAPT
Fumaric Acid SCHEMBL7512233 0.81 HCAR2 (0.57) HCAR2TSHRALDH1A1KDM4EMAPT
SCHEMBL538063 0.80 TSHR (0.50) TSHRALDH1A1TDP1HSD17B10
SCHEMBL19205434 0.79 HCAR2 (0.61) HCAR2TSHRALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089051-A Photopolymerizable (meth)acryloyloxyalkyl hydrogen phosphates and mono- and dicarboxylic acid (meth)acryloyloxyethyl esters; high bonding strength HERAEUS KULZER GMBH (DE) 1992-02-18 US claimed
EP-1272581-B1 CURABLE POLYMERIC COMPOSITIONS SARTOMER CO INC (US) 2004-04-28 EP disclosed
US-5089051-A Photopolymerizable (meth)acryloyloxyalkyl hydrogen phosphates and mono- and dicarboxylic acid (meth)acryloyloxyethyl esters; high bonding strength HERAEUS KULZER GMBH (DE) 1992-02-18 US disclosed