SCHEMBL7054926

SCHEMBL7054926

C[N+]1(C2CCCC2)CCCCC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
SLC18A3 Q16572 4/20 0.36
CHRNA7 P36544 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CHRM2 P08172 5/20 0.33
CHRM4 P08173 5/20 0.33
CHRM5 P08912 5/20 0.33
CHRM1 P11229 5/20 0.33
CHRM3 P20309 5/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL9370820 0.79 CHRM2 (0.47) ALOX15CHRM2CHRM4CHRM5CHRM1
SCHEMBL8497209 0.70 ALDH1A1 (0.36) ALOX15SLC18A3CHRNA7ALDH1A1GAA
SCHEMBL7830511 0.69 SLC18A3 (0.35) ALOX15SLC18A3CHRNA7ALDH1A1GAA
SCHEMBL16226181 0.63 TSHR (0.37) SLC18A3MEN1KMT2A
SCHEMBL13532274 0.63 RECQL (0.34) SLC18A3
SCHEMBL8229391 0.63 RECQL (0.34) SLC18A3
SCHEMBL19692024 0.60 SLC18A3 (0.46) SLC18A3CHRNA7CHRM2CHRM3CHRNB4
SCHEMBL42580 0.60 SLC18A3 (0.61) SLC18A3ALDH1A1
SCHEMBL11904658 0.60 MEN1 (0.65) CHRNA7ALDH1A1GAAMEN1KMT2A
SCHEMBL415662 0.60 MEN1 (0.65) CHRNA7ALDH1A1GAAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409402-A2 ZEOLITE SSZ-59 Chevron USA, Inc. (US) 2004-04-21 EP disclosed
WO-2003006364-A2 ZEOLITE SSZ-59 CHEVRON U.S.A. INC. (US) 2003-01-23 WO disclosed