SCHEMBL6445149

SCHEMBL6445149

CC(C)(C1C=C(CCO)c2ccccc21)C1C=C(CCO)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.39
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32
IDO1 P14902 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
TDO2 P48775 1/20 0.31
SLC22A2 O15244 1/20 0.30
SLC22A3 O75751 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL6475443 0.90 HTR6 (0.38) HTR6GPR3IDO1TDO2POLB
SCHEMBL8158527 0.82 ACHE (0.39) HTR6GPR3
SCHEMBL7718899 0.81 HTR6 (0.36) HTR6GPR3HTR2ASLC22A2SLC22A3
SCHEMBL8158524 0.81 PTPN1 (0.41) HTR6GPR3
SCHEMBL6067451 0.77 HTR6 (0.35) HTR6
SCHEMBL6447667 0.73 HTR6 (0.36) HTR6HTR2AIDO1TDP1TDO2
SCHEMBL5702835 0.71 GPR3 (0.34) GPR3HTR2A
SCHEMBL6444625 0.70 HTR6 (0.42) HTR6HTR2AIDO1TDP1TDO2
SCHEMBL5702797 0.69 GPR3 (0.33) GPR3
SCHEMBL5702787 0.67 GPR3 (0.31) GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065018-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization (1) REPSOL QUIMICA S.A. 2005-03-24 US disclosed
EP-0953580-B1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA SA (ES) 2004-04-14 EP disclosed
US-20030144135-A1 PREPARATION AND USE OF HETEROGENEOUS CATALYST COMPONENTS FOR OLEFINS POLYMERIZATION REPSOL QUIMICA S.A. (ES) 2003-07-31 US disclosed
EP-0955306-B1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA SA (ES) 2003-01-22 EP disclosed
US-6114555-A Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 2000-09-05 US disclosed
EP-0955306-A1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 1999-11-10 EP disclosed
EP-0953580-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA S.A. (ES) 1999-11-03 EP disclosed