SCHEMBL28290913

SCHEMBL28290913

O=COCCC1=NOC(CCCOCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.38
ITGAV P06756 9/20 0.38
ITGA2B P08514 8/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 1/20 0.34
TEAD3 Q99594 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL28290944 0.97 ITGB3 (0.37) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL28292335 0.96 ITGB3 (0.37) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL28290929 0.93 ITGB3 (0.38) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL28290953 0.87 LMNA (0.41) ITGB3ITGAVITGA2BHRH4HRH3
SCHEMBL28290921 0.86 PPARG (0.40) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL28292337 0.85 TAAR1 (0.35) ITGB3ITGA2BTDP1
SCHEMBL28290928 0.82
SCHEMBL28292346 0.81 ITGB3 (0.34) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL28292350 0.79 TAAR1 (0.39) ITGB3ITGA2BTEAD3TDP1
SCHEMBL28144168 0.78 MEN1 (0.37) ITGB3ITGAVITGA2BMEN1KMT2A

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