SCHEMBL8863129

SCHEMBL8863129

CC(CC(=O)O)O[C]=C=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.33
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.31
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
MAPT P10636 1/20 0.30
FFAR1 O14842 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
SCHEMBL10409079 0.82
SCHEMBL15910178 0.71 SLC22A6 (0.43) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL322027 0.69
SCHEMBL679867 0.69
SCHEMBL8752294 0.69
SCHEMBL19512271 0.69
SCHEMBL28308009 0.69 SLC22A6 (0.41) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL143521 0.69
SCHEMBL2710441 0.67
SCHEMBL20276342 0.67 SLC22A6 (0.39) SLC22A6CACNA2D1CACNB3CACNA1CPGR

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
US-5665887-A Methine compound FUJI PHOTO FILM CO., LTD. (JP) 1997-09-09 US disclosed