SCHEMBL13714657

SCHEMBL13714657

COC(=O)C1C[C@H]2C[C@@H]1C(C)C2C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.31
CYP2C19 P33261 1/20 0.30
SLC6A2 P23975 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
SCHEMBL2680879 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL14509996 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL23383198 0.83 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12271054 0.82 CYP1A2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16866407 0.81 ALDH1A1 (0.34) CYP1A2MAPK1CYP2C19
SCHEMBL13608901 0.81 POLB (0.33) HSD17B10TSHR
SCHEMBL11927954 0.80
SCHEMBL110267 0.79 MAPK1 (0.35) CHRM2CHRM3MAPK1
SCHEMBL12271258 0.79 CA1 (0.35)
SCHEMBL15268324 0.79 MAPK1 (0.35) CHRM2CHRM3MAPK1

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-20090198037-A1 NORBORNENE-BASED POLYMER, FILM CONTAINING THE SAME, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-08-06 US disclosed