SCHEMBL6683066

SCHEMBL6683066

CC(CC(=O)O)OC(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
FFAR1 O14842 3/20 0.43
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL21558227 0.79 LMNA (0.52) CYP2C19LMNAKMT2A
SCHEMBL6680608 0.79 FFAR1 (0.44) GABBR2GABBR1FFAR1CYP2C19MAPT
SCHEMBL13574482 0.79 GABBR2 (0.44) GABBR2GABBR1FFAR1CYP2C19LMNA
SCHEMBL1094149 0.73 LMNA (0.46) LMNAMAPK1
SCHEMBL15910178 0.73 SLC22A6 (0.43) MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL18954122 0.72 LMNA (0.45) FFAR1CYP2C19LMNAMAPK1KMT2A
SCHEMBL237091 0.72 FFAR1 (0.70) GABBR2GABBR1FFAR1CYP2C19MAPT
SCHEMBL1149768 0.72 FFAR1 (0.70) GABBR2GABBR1FFAR1CYP2C19MAPT
SCHEMBL237090 0.72 FFAR1 (0.70) GABBR2GABBR1FFAR1CYP2C19MAPT
SCHEMBL1418060 0.72 MTNR1A (0.59) FFAR1CYP2C19MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004044031-A1 NEW POLYHYDROXYALKANOATE COMPRISING UNIT HAVING (PHENYLMETHYL)OXY STRUCTURE ON SIDE CHAIN THEREOF, AND METHOD FOR PRODUCING THE SAME CANON KABUSHIKI KAISHA (JP) 2004-05-27 WO claimed
WO-2004044031-A1 NEW POLYHYDROXYALKANOATE COMPRISING UNIT HAVING (PHENYLMETHYL)OXY STRUCTURE ON SIDE CHAIN THEREOF, AND METHOD FOR PRODUCING THE SAME CANON KABUSHIKI KAISHA (JP) 2004-05-27 WO disclosed