SCHEMBL7196478

SCHEMBL7196478

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.53
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 3/20 0.32
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
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

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
SCHEMBL7198717 1.00 HCAR2 (0.53) HCAR2MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL4449424 1.00 HCAR2 (0.53) HCAR2MAPTCACNA1BAPBA1ALDH1A1
SCHEMBL7643553 0.93 HCAR2 (0.41) HCAR2MAPTCACNA1BAPBA1TDP1
SCHEMBL4449417 0.93 HCAR2 (0.41) HCAR2MAPTCACNA1BAPBA1TDP1
SCHEMBL1886950 0.82 TSHR (0.44) MAPTCACNA1BAPBA1ALDH1A1TDP1
SCHEMBL4880509 0.80 HCAR2 (0.59) HCAR2MAPTALDH1A1GAATDP1
SCHEMBL2897728 0.80 HCAR2 (0.59) HCAR2MAPTALDH1A1GAATDP1
SCHEMBL10482085 0.80 TDP1 (0.36) ALDH1A1TDP1TSHR
SCHEMBL19205434 0.78 HCAR2 (0.61) HCAR2MAPTALDH1A1GAATDP1
SCHEMBL5890328 0.78 HCAR2 (0.61) HCAR2MAPTALDH1A1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003010124-A1 POLYMERIZABLE COMPOUND, polymeRIZABLE COMPOSITION AND CURED PRODUCT CONTAINING THE COMPOUND SHOWA DENKO K. K. (JP) 2003-02-06 WO disclosed