SCHEMBL6857237

SCHEMBL6857237

CC1=CC(C)([Zr](Oc2ccccc2C(F)(F)F)Oc2ccccc2C(F)(F)F)C=C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
HSD11B1 P28845 1/20 0.32
AR P10275 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
PPARG P37231 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
SCHEMBL5087199 0.73 HSD11B1 (0.34) DRD2MRGPRX1HSD11B1ADRA2AADRA2B
SCHEMBL30093322 0.63 CA1 (0.55) ARADRA2B
SCHEMBL255270 0.63 CA1 (0.55) ARADRA2B
SCHEMBL1051260 0.62 ADRA2A (0.42) MRGPRX1HSD11B1ADRA2AADRA2BADRA2C
SCHEMBL1685381 0.62 LTA4H (0.46) MRGPRX1HSD11B1ADRA2AADRA2BADRA2C
SCHEMBL5083556 0.62 HSD11B1 (0.34) DRD2MRGPRX1HSD11B1ADRA2AADRA2B
SCHEMBL13020168 0.61 HSD11B1 (0.42) MRGPRX1HSD11B1ADRA2AADRA2BADRA2C
SCHEMBL10902334 0.61 AR (0.53) MRGPRX1HSD11B1ARADRA2AADRA2B
SCHEMBL11048002 0.60 LTA4H (0.45) MRGPRX1HSD11B1ARADRA2AADRA2B
SCHEMBL9242571 0.60 HSD11B1 (0.53) HSD11B1ADRA2AADRA2BADRA2CRXRA

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
US-6787616-B2 HIGH BULK DENSITY, NARROW PARTICLE SIZE AND MOLECULAR WEIGHT DISTRIBUTION, REDUCED FINES AND LARGE PARTICLE CONTENT; HIGH ACTIVITY MARUZEN PETROCHEMICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20040010104-A1 Catalyst for olefin polymerization and process for polymerizing olefin by means thereof MARUZEN PETROCHEMICAL CO., LTD. (JP) 2004-01-15 US disclosed