SCHEMBL6447667

SCHEMBL6447667

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.36
HTR2A P28223 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL6472539 0.90 HTR6 (0.35) HTR6IDO1TDO2POLB
SCHEMBL27546302 0.75 HTR6 (0.37) HTR6MEN1POLBKMT2AATM
SCHEMBL6445149 0.73 HTR6 (0.39) HTR6HTR2ATDP1IDO1TDO2
SCHEMBL6444625 0.70 HTR6 (0.42) HTR6HTR2ATDP1IDO1TDO2
SCHEMBL6445006 0.67 HTR6 (0.30) HTR6
SCHEMBL6445180 0.65 HTR6 (0.31) HTR6
SCHEMBL6475443 0.65 HTR6 (0.38) HTR6IDO1TDO2POLB
SCHEMBL32682787 0.64 HTR6 (0.30) HTR6
Hydrochloric Acid SCHEMBL6909856 0.64 DHODH (0.35) HTR6
Hydrochloric Acid SCHEMBL6905178 0.63 DHODH (0.34) HTR6

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