SCHEMBL6475443

SCHEMBL6475443

CC(C)(C1C=C(CCCO)c2ccccc21)C1C=C(CCCO)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.38
IDO1 P14902 2/20 0.31
GPR3 P46089 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
TDO2 P48775 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
SCHEMBL6445149 0.90 HTR6 (0.39) HTR6IDO1GPR3POLBTDO2
SCHEMBL8158527 0.86 ACHE (0.39) HTR6GPR3
SCHEMBL8158524 0.84 PTPN1 (0.41) HTR6GPR3
SCHEMBL7718899 0.78 HTR6 (0.36) HTR6GPR3
SCHEMBL6472539 0.75 HTR6 (0.35) HTR6IDO1KDM4EPOLBTDO2
SCHEMBL6067451 0.75 HTR6 (0.35) HTR6
SCHEMBL6520102 0.72 HTR6 (0.40) HTR6IDO1TDO2
SCHEMBL5702835 0.69 GPR3 (0.34) GPR3
SCHEMBL5702797 0.67 GPR3 (0.33) GPR3
SCHEMBL6472977 0.67

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