SCHEMBL28292337

SCHEMBL28292337

O=COCCC1=NOC(CCCOc2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
KCNA3 P22001 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
ALOX12 P18054 1/20 0.34
MIF P14174 1/20 0.34
HTR1A P08908 6/20 0.34
ADRA1D P25100 6/20 0.34
ADRA1A P35348 6/20 0.34
ADRA1B P35368 6/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL28292350 0.94 TAAR1 (0.39) TAAR1KCNA3ITGB3ITGA2BMIF
SCHEMBL28292352 0.88 TDP1 (0.43) ITGB3ITGA2BMIFTDP1
SCHEMBL28290913 0.85 ITGB3 (0.38) ITGB3ITGA2BTDP1
SCHEMBL28290921 0.84 PPARG (0.40) TAAR1ITGB3ITGA2B
SCHEMBL28290944 0.82 ITGB3 (0.37) ITGB3ITGA2BTDP1
SCHEMBL28292335 0.81 ITGB3 (0.37) ITGB3ITGA2BTDP1
SCHEMBL28290928 0.80
SCHEMBL28290929 0.80 ITGB3 (0.38) TAAR1ITGB3ITGA2B
SCHEMBL28290925 0.79 ITGB3 (0.34) ITGB3ITGA2BMIF
SCHEMBL28292346 0.76 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