SCHEMBL7567329

SCHEMBL7567329

CC1(C(=O)O)COC(C)(C(=O)O)O1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL335112 0.80
SCHEMBL948961 0.80
SCHEMBL877771 0.79 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL877772 0.79 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL1829037 0.79 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL9981013 0.78 FFAR3 (0.41) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL2035911 0.77 FFAR3 (0.33) FFAR3MAPK1TP53NFKB1CYP2C19
Ethylene SCHEMBL4239138 0.75
Carbamic Acid SCHEMBL25294163 0.73 FFAR3 (0.38) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL29853919 0.73 FFAR3 (0.38) FFAR3MAPK1TP53NFKB1CYP2C19

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
EP-0882703-B1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-08-14 EP claimed
US-4182718-A BUILDERS, SQUESTRANTS, WATER SOFTENERS MONSANTO COMPANY (US) 1980-01-08 US disclosed