SCHEMBL4021910

SCHEMBL4021910

C=Cc1ccc(OCCCCCCOCC2(C)COC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
APP P05067 10/20 0.36
CHRNA10 Q9GZZ6 2/20 0.35
CHRNA9 Q9UGM1 2/20 0.35
MAOB P27338 4/20 0.34
MAOA P21397 3/20 0.34

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
SCHEMBL3753661 0.87 ALDH1A1 (0.47) APPMAOBMAOA
SCHEMBL15268100 0.85 ALDH1A1 (0.48)
SCHEMBL21177686 0.85 CHRNA7 (0.44) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25293643 0.85 CHRNA7 (0.44) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28548397 0.85 CHRNA7 (0.44) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19105138 0.84 CHRNB2 (0.43) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11950262 0.83 DRD2 (0.41)
SCHEMBL11950259 0.83 DRD2 (0.41)
SCHEMBL27910850 0.83 CHRNA7 (0.45) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12619904 0.82 KDM4E (0.44) MAOB

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
WO-2009092671-A2 ORGANIC LIGHT EMITTING SYSTEMS BASF SE (DE) 2009-07-30 WO disclosed
WO-2009092671-A2 ORGANIC LIGHT EMITTING SYSTEMS BASF SE (DE) 2009-07-30 WO disclosed