SCHEMBL6902972

SCHEMBL6902972

Cc1ccc(C2C([Zr](Cl)(Cl)C3=Cc4ccccc4C3c3ccc(C)o3)=Cc3ccccc32)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 5/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
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
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
SCHEMBL6904139 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL6901233 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KDM4EMAPT
Hydrochloric Acid SCHEMBL6902670 0.75 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL7733562 0.67 ALDH1A1 (0.40) KDM4EMAPTALDH1A1KMT2AHSD17B10
SCHEMBL6902186 0.65 CHRM2 (0.34) KDM4EMAPTALDH1A1MEN1HPGD
SCHEMBL27492992 0.59 CYP19A1 (0.35)
SCHEMBL28895779 0.59 DRD2 (0.41)
SCHEMBL6900960 0.59 CHRM2 (0.37) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL688687 0.58
SCHEMBL8161010 0.58

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 3 patents. 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 disclosed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed
EP-1033371-A1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins TARGOR GmbH (DE) 2000-09-06 EP disclosed