SCHEMBL29249250

SCHEMBL29249250

CCc1cccc(CC)c1[CH]c1c(CC)cccc1CC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 4/20 0.52
MGLL Q99685 1/20 0.37
PDK2 Q15119 1/20 0.36
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 2/20 0.35
CTSB P07858 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
DAO P14920 1/20 0.34
CACNA1C Q13936 1/20 0.34
CLCN2 P51788 1/20 0.33

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
SCHEMBL5250859 0.84 GABRA1 (0.43) GABRA1GABRB2MGLLMAPTNPSR1
SCHEMBL18242771 0.81 GABRA1 (0.50) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL320588 0.81 GABRA1 (0.50) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL18243445 0.81 GABRA1 (0.50) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL1363486 0.81 GABRA1 (0.50) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL29249201 0.79 GABRA1 (0.37) GABRA1GABRB2KCNH2HTR1ADAO
SCHEMBL10495645 0.79 GABRA1 (0.48) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL11745960 0.77 GABRA1 (0.46) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL29078453 0.77 GABRA1 (0.46) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL26707956 0.77 GABRA1 (0.46) GABRA1GABRB2MGLLPDK2KCNH2

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