SCHEMBL6898602

SCHEMBL6898602

Cc1ccc(C2C([Zr]C3=Cc4c(C(C)C)cccc4C3c3ccc(C)o3)=Cc3c(C(C)C)cccc32)o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
BRCA1 P38398 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
SCHEMBL6902623 0.81 BRD4 (0.33)
Hydrochloric Acid SCHEMBL6902682 0.81 MAPT (0.32) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL6898551 0.79 KDM4E (0.36) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL6902049 0.78 ALDH1A1 (0.35) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL6903792 0.77 ALDH1A1 (0.32) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL6904381 0.75 ALDH1A1 (0.32) MAPTALDH1A1MEN1HPGDKMT2A
SCHEMBL6901233 0.75 SLC6A2 (0.38) MAPTKDM4EALDH1A1TDP1MEN1
SCHEMBL6902981 0.72 S1PR1 (0.31) MAPTALDH1A1MEN1KMT2A
SCHEMBL6898070 0.71 ALDH1A1 (0.35) MAPTKDM4EALDH1A1HTTKMT2A
SCHEMBL6904301 0.70 HSD11B1 (0.32) MAPTMEN1KMT2AALOX12

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