SCHEMBL6883686

SCHEMBL6883686

C=C(CI)c1cccc(C2(C)CO2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.34
SLC6A2 P23975 9/20 0.34
CHRNB4 P30926 9/20 0.34
CHRNA3 P32297 9/20 0.34
CHRNA4 P43681 9/20 0.34
SLC6A3 Q01959 9/20 0.34
CHRNA1 P02708 8/20 0.34
CHRNB1 P11230 8/20 0.34
CHRNG P07510 7/20 0.34
CHRND Q07001 7/20 0.34
SLC6A4 P31645 4/20 0.33
ALOX5 P09917 1/20 0.31

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
SCHEMBL1499359 0.82 CHRNB2 (0.38) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL361976 0.74 CHRNB2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL30717245 0.68 CHRNA1 (0.53) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL12852075 0.66 OPRD1 (0.42) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL27783648 0.66 SLC6A3 (0.53) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL27783647 0.66 SLC6A3 (0.53) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL14311247 0.66 F2 (0.47)
SCHEMBL17733690 0.66 ALOX5 (0.34) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5855213 0.64 CHRNB2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2063096 0.64 MAOA (0.52)

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-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed