SCHEMBL6903109

SCHEMBL6903109

CCc1ccc(C2=Cc3c(-c4cccc5ccccc45)cccc3C2[Zr]C2C(c3ccc(CC)o3)=Cc3c(-c4cccc5ccccc45)cccc32)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
ALOX15 P16050 8/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 4/20 0.33
CASP1 P29466 4/20 0.33
CASP7 P55210 4/20 0.33
HSD17B10 Q99714 4/20 0.33
TSHR P16473 2/20 0.33
ALOX12 P18054 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GLA P06280 2/20 0.32
SLC6A4 P31645 2/20 0.32
NPC1 O15118 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
SCHEMBL6903890 0.91 ALOX15 (0.34) HTR6ALOX15KDM4EALDH1A1GAA
SCHEMBL6902681 0.85 MAOA (0.33) ALOX15KDM4EALDH1A1GAACASP1
SCHEMBL6902545 0.85 CHRM2 (0.34) KDM4EALDH1A1CHRM2CHRM4CHRM5
SCHEMBL6903159 0.84 ABCB1 (0.32) ALDH1A1HSD17B10TSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL6902739 0.83 HTR6 (0.34) HTR6CHRM2CHRM4CHRM5CHRM1
SCHEMBL6902347 0.83 ALDH1A1 (0.39) ALOX15KDM4EALDH1A1GAACASP1
SCHEMBL6895504 0.82 CHRM2 (0.34) KDM4EALDH1A1CHRM2CHRM4CHRM5
SCHEMBL6903696 0.81 CHRM2 (0.33) KDM4EALDH1A1CHRM2CHRM4CHRM5
SCHEMBL6904279 0.80 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6905004 0.79 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3

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