SCHEMBL30004123

SCHEMBL30004123

CCCCCCCCCCCCOc1c2ccccc2c(OCCCCCCCCCCCC)c2cc(CC)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
PGR P06401 1/20 0.42
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
KIF11 P52732 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNA3 P22001 3/20 0.40
LTA4H P09960 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KCNA5 P22460 1/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
TLR8 Q9NR97 1/20 0.38
PSEN1 P49768 1/20 0.37

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
SCHEMBL23089974 1.00 FAAH (0.42) FAAHMGLLPGRRORARORC
SCHEMBL29371916 1.00 FAAH (0.42) FAAHMGLLPGRRORARORC
SCHEMBL29370933 1.00 FAAH (0.42) FAAHMGLLPGRRORARORC
SCHEMBL15513063 1.00 FAAH (0.42) FAAHMGLLPGRRORARORC
SCHEMBL23089962 1.00 FAAH (0.42) FAAHMGLLPGRRORARORC
SCHEMBL29368609 1.00 FAAH (0.42) FAAHMGLLPGRRORARORC
SCHEMBL23271961 1.00 FAAH (0.42) FAAHMGLLPGRRORARORC
SCHEMBL15512984 0.98 PGR (0.43) FAAHMGLLPGRRORARORC
SCHEMBL29371407 0.98 PGR (0.43) FAAHMGLLPGRRORARORC
SCHEMBL29372007 0.94 KIF11 (0.44) PGRRORARORCRORBKIF11

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