SCHEMBL28220169

SCHEMBL28220169

CC1(C(=O)O)CC(C)(C(=O)O)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.43
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
APLNR P35414 1/20 0.32

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
SCHEMBL19307390 0.87 FFAR3 (0.47) FFAR3CYP2C19CYP3A4SMN1; SMN2MAPK1
SCHEMBL301061 0.87 FFAR3 (0.47) FFAR3CYP2C19CYP3A4SMN1; SMN2MAPK1
SCHEMBL30932975 0.84 FFAR3 (0.45) FFAR3CYP2C19CYP3A4SMN1; SMN2MAPK1
SCHEMBL29213247 0.84 FFAR3 (0.45) FFAR3CYP2C19CYP3A4SMN1; SMN2MAPK1
SCHEMBL13635919 0.81 FFAR3 (0.50) FFAR3CYP2C19SMN1; SMN2MAPK1LMNA
SCHEMBL29046237 0.79 FFAR3 (0.41) FFAR3CYP2C19CYP3A4SMN1; SMN2MAPK1
SCHEMBL8437637 0.79 FFAR3 (0.41) FFAR3CYP2C19CYP3A4SMN1; SMN2MAPK1
SCHEMBL4398461 0.78
SCHEMBL3154132 0.78
SCHEMBL14439315 0.73 FFAR3 (0.56) FFAR3CYP2C19SMN1; SMN2MAPK1LMNA

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
CN-105849189-B Polyester resin composition and the formed body for having used the resin combination 三菱瓦斯化学株式会社 2018-07-17 CN disclosed