SCHEMBL6903400

SCHEMBL6903400

CCCc1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)o2)C3[Zr]C2C(c3ccc(-c4ccccc4)o3)=Cc3c(-c4ccc(CCC)cc4)cccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 5/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KCNH2 Q12809 1/20 0.30
NQO2 P16083 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL6902351 0.94 EIF4A1 (0.38) EIF4A1
SCHEMBL6903486 0.92 NQO2 (0.36) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL6902721 0.92 HSD11B1 (0.37) EIF4A1ALDH1A1MAPTHSD17B10
SCHEMBL6903407 0.88 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6898054 0.88
SCHEMBL6897529 0.88 CHRM2 (0.37) ALDH1A1NPC1MAPTRAB9ANQO2
SCHEMBL6902952 0.87 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6904154 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EMAPTPKMHSD17B10
SCHEMBL6904337 0.85 NPC1 (0.35) ALDH1A1HPGDKDM4ENPC1MAPT
Hydrochloric Acid SCHEMBL6901876 0.84 ALDH1A1 (0.30) ALDH1A1HPGDKDM4E

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