SCHEMBL29370905

SCHEMBL29370905

CCCCC(CC)COc1c2ccccc2c(OCC(CC)CCCC)c2cc(CC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP3A4 P08684 5/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 4/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MAPK1 P28482 4/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
KIF11 P52732 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL2180229 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29369013 0.87 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23089891 0.87 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29362343 0.87 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL1401911 0.87 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398484 0.85 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30434150 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398563 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23089939 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29371001 0.84 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1

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 3 patents. 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
CN-111868105-B Photopolymerizable sensitizer composition 川崎化成工业株式会社 2022-05-13 CN disclosed
CN-106970503-B Photosensitive composition 东京应化工业株式会社 2022-02-01 CN disclosed