SCHEMBL6436862

SCHEMBL6436862

CC=[Zr](C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL6434165 0.83 BRD4 (0.30)
SCHEMBL8679843 0.81 CYP11B2 (0.35) CA12CA1CA2CA9
SCHEMBL4060837 0.80 CA12 (0.33) SLC6A3CA12CA1CA2CA9
SCHEMBL8575783 0.80 ALDH1A1 (0.31) CA12CA1CA2CA9
SCHEMBL3672617 0.79 BRD4 (0.32) CHRNB2CHRNA4
SCHEMBL8678773 0.78 ALDH1A1 (0.32) CA12CA1CA2CA9
SCHEMBL3676185 0.78 ALDH1A1 (0.33) CA12CA1CA2CA9
SCHEMBL8167343 0.78 CA12 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Hydrochloric Acid SCHEMBL339000 0.77 ALDH1A1 (0.32) SLC6A2SLC6A4SLC6A3CA12CA1
Hydrochloric Acid SCHEMBL3691034 0.77 ALDH1A1 (0.33) CA12CA1CA2CA9

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
EP-1092730-B1 PROCESS FOR PRODUCING OLEFIN POLYMER AND OLEFIN POLYMER MITSUI CHEMICALS INC (JP) 2005-03-23 EP disclosed