SCHEMBL16511366

SCHEMBL16511366

Bc1ccc(C(C)C)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ RNASEH1 O60930 1/20 0.35
▸ CRHR1 P34998 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TYR P14679 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ KIF11 P52732 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
SCHEMBL29661836 0.78 LMNA (0.44) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL19317747 0.78 LMNA (0.44) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL6895537 0.78 LMNA (0.44) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL3189801 0.74 LMNA (0.41) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL1762674 0.74 LMNA (0.58) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL25027728 0.74 LMNA (0.41) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL10227597 0.74 LMNA (0.52) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL1506620 0.73 S1PR1 (0.46) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL7115631 0.73 LMNA (0.40) LMNATRPA1PTGS1CACNA1CGAA
SCHEMBL22618958 0.73 LMNA (0.40) LMNATRPA1PTGS1CACNA1CGAA

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
WO-2011152477-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-12-08 — — WO disclosed
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