SCHEMBL9277669

SCHEMBL9277669

C#CC(O)(CCCCCCCC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.44
▸ CHRM3 P20309 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ SCN5A Q14524 3/20 0.40
▸ SCN9A Q15858 3/20 0.40
▸ EBP Q15125 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36

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
SCHEMBL15875035 1.00 CHRM2 (0.44) CHRM2CHRM3SIGMAR1GAASCN5A
SCHEMBL9000665 0.93 CHRM2 (0.43) CHRM2CHRM3SIGMAR1GAAMEN1
SCHEMBL11085392 0.86 HTR2A (0.38) CHRM2CHRM3SIGMAR1GAA
SCHEMBL11483604 0.84 HDAC3 (0.39) CHRM2CHRM3GAA
SCHEMBL12267888 0.82 SCN5A (0.59) CHRM3SCN5ASCN9AMEN1KMT2A
SCHEMBL28983000 0.81 SIGMAR1 (0.46) CHRM2CHRM3SIGMAR1GAASCN5A
SCHEMBL12099349 0.81 CHRM2 (0.44) CHRM2CHRM3SIGMAR1GAASCN5A
SCHEMBL11480234 0.80 LTA4H (0.49) CHRM2CHRM3GAAMEN1KMT2A
SCHEMBL31314899 0.78 CHRM2 (0.46) CHRM2CHRM3GAASCN5ASCN9A
SCHEMBL29211131 0.78 CHRM2 (0.46) CHRM2CHRM3GAASCN5ASCN9A

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
EP-0216624-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-02-22 — — EP disclosed
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