SCHEMBL28908601

SCHEMBL28908601

C=CCC(CC(=O)O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
MAPK1 P28482 4/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 4/20 0.34
GMNN O75496 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
HSP90AA1 P07900 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1H4 Q96RI1 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 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
SCHEMBL17363246 0.81 LMNA (0.33) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL19829876 0.80 MMP12 (0.39) CYP1A2MAPK1LMNAMAPTGMNN
Hydrochloric Acid SCHEMBL28735138 0.79 LMNA (0.33) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL1777049 0.79 THRB (0.38) LMNATSHR
SCHEMBL25825 0.77 LMNA (0.38) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL8956977 0.75
SCHEMBL17414850 0.75 LMNA (0.37) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL28052219 0.74 LMNA (0.34) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL13591194 0.74 LMNA (0.43) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL2245795 0.74 GPR84 (0.39) CYP1A2MAPK1LMNAMAPTGMNN

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-112513175-A Fluoropolymer-containing composition and molded article 大金工业株式会社 2021-03-16 CN disclosed