SCHEMBL29249201

SCHEMBL29249201

CCCc1cccc(CCC)c1[CH]c1c(CCC)cccc1CCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
DAO P14920 1/20 0.37
GRM5 P41594 1/20 0.35
ELANE P08246 2/20 0.33
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
IAPP P10997 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CTSG P08311 1/20 0.32
HTR1A P08908 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL18243959 0.83 DAO (0.36) GABRA1GABRB2DAOGRM5ELANE
SCHEMBL18243446 0.83 DAO (0.36) GABRA1GABRB2DAOGRM5ELANE
SCHEMBL12802671 0.83 DAO (0.36) GABRA1GABRB2DAOGRM5ELANE
SCHEMBL10351355 0.81 GABRA1 (0.39) GABRA1GABRB2DAOGRM5ELANE
SCHEMBL18242479 0.79 DAO (0.34) GABRA1GABRB2DAOGRM5ELANE
SCHEMBL29249250 0.79 GABRA1 (0.52) GABRA1GABRB2DAOHTR1AKCNH2
SCHEMBL16956031 0.79 PDXK (0.39) GABRA1GABRB2DAO
SCHEMBL18378444 0.78 GABRA1 (0.33) GABRA1GABRB2DAOGRM5ADRA2A
SCHEMBL4950642 0.76 ALDH1A1 (0.34) GABRA1GABRB2DAOGRM5
SCHEMBL142479 0.75 ADRA2B (0.44) GABRA1GABRB2DAOLIPGADRA2A

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-118176220-A Catalyst for olefin polymerization and process for producing olefin polymer 国立大学法人东京大学 2024-06-11 CN disclosed