SCHEMBL14409353

SCHEMBL14409353

COC1(c2ccc(C)cc2)OC(C)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
MAOB P27338 4/20 0.32
MAOA P21397 2/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL725588 0.75 ACHE (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL17599636 0.64 TDP1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL5357314 0.62 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL2400193 0.62 SLC6A4 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL576019 0.60 GAA (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9469477 0.59 CCR2 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL15013042 0.59 ACHE (0.40) SLC6A2SLC6A3MAOBMAOAACHE
SCHEMBL16174056 0.59 ACHE (0.40) SLC6A2SLC6A3MAOBMAOAACHE
SCHEMBL30315860 0.59 CHRNA1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13657904 0.58 CPB1 (0.35) ACHE

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
US-20070219292-A1 INK SET FOR INK-JET RECORDING, POLYMERIZATION METHOD AND IMAGE FORMING METHOD KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-09-20 US disclosed