SCHEMBL6901827

SCHEMBL6901827

CCCCc1ccc(-c2cccc3c2C=C(c2ccc(CCC)o2)C3[Zr]C2C(c3ccc(CCC)o3)=Cc3c(-c4ccc(CCCC)cc4)cccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
EIF4A1 P60842 4/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
S1PR1 P21453 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRS3 P32247 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
SCHEMBL6903737 0.96 PTGS1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6903407 0.95 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6903352 0.94 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6903493 0.93 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6902952 0.90 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6904772 0.89 HSD11B1 (0.32) EIF4A1NPC1ALDH1A1MAPTNFKB1
SCHEMBL6901752 0.89 KDM4E (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6904154 0.88 ALDH1A1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6902351 0.88 EIF4A1 (0.38) EIF4A1BRS3
SCHEMBL6901791 0.87

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