SCHEMBL30003534

SCHEMBL30003534

Cc1ccc2c(OC(C)C)ccc(OC(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ALB P02768 2/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
CSNK2A1 P68400 2/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TRPA1 O75762 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL23271722 1.00 ACHE (0.40) ACHEIDO1TDO2ALBLDHA
SCHEMBL12313570 0.80 ACHE (0.50) ACHEIDO1TDO2CSNK2A1LMNA
SCHEMBL9945998 0.79 LMNA (0.45) ACHEIDO1TDO2CSNK2A1LMNA
SCHEMBL8280908 0.78 FFAR4 (0.43) ACHEIDO1TDO2CSNK2A1MAPT
SCHEMBL11149087 0.76 ACHE (0.62) ACHEIDO1LMNAMAPTGAA
SCHEMBL30003276 0.76 ACHE (0.62) ACHEIDO1LMNAMAPTGAA
SCHEMBL12009 0.75 P2RX3 (0.41) ACHEIDO1TDO2CSNK2A1MAPT
SCHEMBL19308590 0.75 LMNA (0.50) LMNAALDH1A1TRPA1CHRM1SLC6A2
SCHEMBL16372665 0.75 ALDH1A1 (0.61) ACHEIDO1TDO2CSNK2A1ALDH1A1
SCHEMBL16956140 0.75 CYP1A2 (0.46) ACHEIDO1TDO2LMNAMAPT

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed