SCHEMBL21668243

SCHEMBL21668243

O=C(C1CCC(O)CC1)C1CC(O)C(O)C(O)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNA7 P36544 1/20 0.43
EPHX2 P34913 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
SCHEMBL7069140 0.83 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL27898083 0.83 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL28644249 0.72 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL76659 0.71
SCHEMBL611944 0.69 APLNR (0.43)
SCHEMBL482042 0.69 TSHR (0.50) EPHX2
SCHEMBL28889340 0.69 TSHR (0.50) EPHX2
SCHEMBL14389448 0.69 APLNR (0.43)
SCHEMBL601356 0.69 TSHR (0.50) EPHX2
SCHEMBL160291 0.69 TSHR (0.50) EPHX2

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-2020026834-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION 日産化学株式会社 2020-02-06 WO disclosed