SCHEMBL5357314

SCHEMBL5357314

COc1ccc(C2(C)OC(C)C2(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRND Q07001 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL13651912 0.74 GLA (0.42) CA1CA2CA7CA9CA12
SCHEMBL10800263 0.73 CA1 (0.44) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL13651909 0.72 GRM2 (0.39) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL13657912 0.68 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL9354728 0.68 CA1 (0.44) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL19004504 0.67 CPB1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL9731735 0.66 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL23174634 0.66 CHRNA1 (0.48) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL28198222 0.65 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL9518055 0.64 MAOB (0.42) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169446-B2 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-01-30 US disclosed
EP-1486526-B1 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method KONICA MINOLTA MED & GRAPHIC (JP) 2006-08-16 EP disclosed
US-20040252171-A1 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2004-12-16 US disclosed
EP-1486526-A1 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method Konica Minolta Medical & Graphic, Inc. (JP) 2004-12-15 EP disclosed