SCHEMBL6903049

SCHEMBL6903049

CC1=Cc2c(-c3ccc4ccccc4c3)cccc2C1[Zr](=C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GSTP1 P09211 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 1/20 0.32
CTRC Q99895 1/20 0.32
S1PR5 Q9H228 5/20 0.31
S1PR4 O95977 3/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 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
SCHEMBL5076764 0.93 CTRC (0.33) SLC6A2SLC6A4SLC6A3HDAC4HDAC2
SCHEMBL6905754 0.89
SCHEMBL6905175 0.87 PDCD1 (0.32)
Hydrochloric Acid SCHEMBL17698578 0.86 PDCD1 (0.31)
SCHEMBL6904043 0.81 CNR2 (0.33) TSHR
SCHEMBL6904067 0.81
SCHEMBL28941567 0.81 GSTP1 (0.38) SLC6A2SLC6A4SLC6A3HDAC4HDAC2
Hydrochloric Acid SCHEMBL17698555 0.80
SCHEMBL7601711 0.80 GSTP1 (0.37) SLC6A2SLC6A4SLC6A3HDAC4HDAC2
SCHEMBL1010160 0.78 GSTP1 (0.36) SLC6A2SLC6A4SLC6A3HDAC4HDAC2

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-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP disclosed