SCHEMBL6903792

SCHEMBL6903792

Cc1ccc(-c2cccc3c2C=C([Zr]C2=Cc4c(-c5ccc(C)cc5)cccc4C2c2ccc(C)o2)C3c2ccc(C)o2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
MAPT P10636 5/20 0.32
KDM4E B2RXH2 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 3/20 0.32
HPGD P15428 3/20 0.32
HTT P42858 3/20 0.32
KMT2A Q03164 3/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX12 P18054 2/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
SLC6A2 P23975 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
SCHEMBL6902049 0.91 ALDH1A1 (0.35) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL6903054 0.89 MAPT (0.30) ALDH1A1MAPTKDM4ETDP1MEN1
SCHEMBL6901081 0.88 KDM4E (0.32) ALDH1A1KDM4EHTT
SCHEMBL6902623 0.88 BRD4 (0.33)
SCHEMBL6897836 0.88 BRD4 (0.33) LMNA
SCHEMBL6902981 0.86 S1PR1 (0.31) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL6904381 0.85 ALDH1A1 (0.32) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL6900000 0.84
SCHEMBL6904301 0.84 HSD11B1 (0.32) MAPTMEN1KMT2AALOX12
SCHEMBL6904492 0.83 HSD17B10 (0.34) ALDH1A1MAPTKDM4EMEN1HPGD

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