SCHEMBL27490990

SCHEMBL27490990

CCC(C)C1=Cc2c(-c3ccc4ccccc4c3)cccc2C1[Zr](Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
GSTP1 P09211 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL27557395 0.90 GSTP1 (0.36) AKR1C3AKR1C2GSTP1S1PR4S1PR5
SCHEMBL27509133 0.86 KDM4E (0.30)
SCHEMBL8170300 0.84
SCHEMBL27492400 0.83 PPARG (0.31)
SCHEMBL27490626 0.82 HTR1A (0.31)
SCHEMBL27511662 0.82 ALDH1A1 (0.31)
Hydrochloric Acid SCHEMBL27493034 0.82 S1PR5 (0.34) AKR1C3AKR1C2GSTP1S1PR4S1PR5
SCHEMBL27509501 0.81 GSTP1 (0.35) AKR1C3AKR1C2GSTP1S1PR5SLC6A2
SCHEMBL27510190 0.81 HTR2A (0.33) AKR1C3AKR1C2GSTP1S1PR4S1PR5
SCHEMBL6046770 0.81 GSTP1 (0.34) AKR1C3AKR1C2GSTP1SLC6A2SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1616496-A Catalyst component, catalyst and process for ethylenically unsaturated monomer polymerization MITSUI CHEMICALS INC (JP) 2005-05-18 CN disclosed
CN-1224026-A Catalyst component for polymerizing ethylenically unsaturated monomers, catalyst and method of use thereof MITSUI CHEMICALS INC (JP) 1999-07-28 CN disclosed