SCHEMBL28292350

SCHEMBL28292350

O=COCCC1=NOC(CCOc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
HTR1A P08908 6/20 0.34
ADRA1D P25100 6/20 0.34
ADRA1A P35348 6/20 0.34
ADRA1B P35368 6/20 0.34
MIF P14174 1/20 0.34
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
KCNA3 P22001 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL28292337 0.94 TAAR1 (0.35) TAAR1ITGB3ITGA2BHTR1AADRA1D
SCHEMBL28292352 0.89 TDP1 (0.43) ITGB3ITGA2BMIFTDP1
SCHEMBL28290921 0.85 PPARG (0.40) TAAR1ITGB3ITGA2B
SCHEMBL28290929 0.83 ITGB3 (0.38) TAAR1ITGB3ITGA2B
SCHEMBL28290928 0.81
SCHEMBL28144245 0.79 TAAR1 (0.43) TAAR1ITGB3ITGA2BMIFTEAD1
SCHEMBL28290913 0.79 ITGB3 (0.38) ITGB3ITGA2BTEAD3TDP1
SCHEMBL28290944 0.78 ITGB3 (0.37) ITGB3ITGA2BTDP1
SCHEMBL28290953 0.77 LMNA (0.41) TAAR1ITGB3ITGA2B
SCHEMBL28292346 0.77 ITGB3 (0.34) ITGB3ITGA2B

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-106572659-B Harmful arthropod agent for preventing and eliminating containing amide compound 住友化学株式会社 2019-05-10 CN disclosed