SCHEMBL30003096

SCHEMBL30003096

CCCCOc1c2c(c(OC)c3ccccc13)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
PTGER4 P35408 2/20 0.42
LTA4H P09960 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
MPO P05164 2/20 0.36
ACHE P22303 5/20 0.36
BCHE P06276 4/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL23271649 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER4
SCHEMBL23271923 0.94 PTGER4 (0.45) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER4
SCHEMBL30003182 0.94 PTGER4 (0.45) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER4
SCHEMBL30003092 0.87 FAAH (0.44) SMN1; SMN2KDM4EALDH1A1PTGER4LTA4H
SCHEMBL23271836 0.87 FAAH (0.44) SMN1; SMN2KDM4EALDH1A1PTGER4LTA4H
SCHEMBL23271880 0.85 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER4
SCHEMBL30003516 0.85 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER4
SCHEMBL23271698 0.85 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER4
SCHEMBL30004258 0.85 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER4
SCHEMBL23271962 0.84 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1MAPK1PTGER4

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