SCHEMBL6901081

SCHEMBL6901081

CCc1ccc(-c2cccc3c2C=C([Zr]C2=Cc4c(-c5ccc(CC)cc5)cccc4C2c2ccc(C)o2)C3c2ccc(C)o2)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL6902981 0.91 S1PR1 (0.31) ALDH1A1
SCHEMBL6904301 0.89 HSD11B1 (0.32)
SCHEMBL6903792 0.88 ALDH1A1 (0.32) KDM4EALDH1A1HTT
SCHEMBL6904492 0.87 HSD17B10 (0.34) KDM4EALDH1A1
SCHEMBL6902049 0.87 ALDH1A1 (0.35) KDM4EALDH1A1HTT
SCHEMBL6903054 0.85 MAPT (0.30) KDM4EALDH1A1HTT
SCHEMBL6900000 0.85
SCHEMBL6897836 0.84 BRD4 (0.33)
SCHEMBL6902623 0.84 BRD4 (0.33)
Hydrochloric Acid SCHEMBL6902893 0.83 KDM4E (0.32) KDM4EEDNRBEDNRA

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