SCHEMBL6903486

SCHEMBL6903486

CCc1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)o2)C3[Zr]C2C(c3ccc(-c4ccccc4)o3)=Cc3c(-c4ccc(CC)cc4)cccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTT P42858 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE7B Q9NP56 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 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
SCHEMBL6903400 0.92 EIF4A1 (0.32) NQO2ALDH1A1HPGDCHRM2CHRM4
SCHEMBL6902351 0.91 EIF4A1 (0.38)
SCHEMBL6897529 0.91 CHRM2 (0.37) NQO2ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL6902721 0.89 HSD11B1 (0.37) ALDH1A1MAPT
SCHEMBL6904337 0.88 NPC1 (0.35) NQO2EDNRBEDNRAALDH1A1HPGD
SCHEMBL6902288 0.87 EDNRB (0.31) EDNRBEDNRA
SCHEMBL6895504 0.87 CHRM2 (0.34) EDNRBEDNRAALDH1A1HPGDCHRM2
SCHEMBL6904300 0.86 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6902643 0.86 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6902545 0.86 CHRM2 (0.34) ALDH1A1CHRM2CHRM4CHRM5CHRM1

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-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed