SCHEMBL6895735

SCHEMBL6895735

CC1=C2CCCCC3=C(C)C(c4ccccc43)[Zr](C)(C)C1c1ccccc12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.32
PTGS2 P35354 1/20 0.32
HRH1 P35367 1/20 0.32
HTR3A P46098 1/20 0.32
PDE4D Q08499 1/20 0.32
GPR3 P46089 2/20 0.31
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7602766 0.95 ADRA2C (0.33) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL5354721 0.80 HTR1A (0.33)
SCHEMBL4444119 0.79 ADRA2C (0.32) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL5345743 0.74 HTR1A (0.34)
SCHEMBL7711841 0.73 GPR3 (0.31) GPR3POLB
SCHEMBL7602945 0.72 ADRA2C (0.31) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL5347817 0.71 PBRM1 (0.33) GPR3POLB
SCHEMBL7597779 0.71 IDO1 (0.33) GPR3POLB
SCHEMBL797503 0.71 BCHE (0.36)
SCHEMBL4453276 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759500-B1 PRODUCING FIBERS, FILMS AND MOLDINGS, IN PARTICULAR FOR PRODUCING TUBES HAVING A HIGH CREEP RUPTURE STRENGTH UNDER INTERNAL PRESSURE BASELL POLYOLEFINE GMBH (DE) 2004-07-06 US disclosed
US-6506856-B2 Preparing polymers based on monomers having a C-C double and/or C-C triple bond by polymerization of these monomers in the presence of catalyst system comprising as active constituents a compound of an early transition metal BASF AKTIENGESELLSCHAFT (DE) 2003-01-14 US disclosed
US-6271164-B1 METALLOCENE CATALYST LYONDELL CHEMICAL TECHNOLOGY, L.P. 2001-08-07 US disclosed
US-6177526-B1 METALLOCENE; COCATALYST; MODIFIED OXIDE CONTAINS ORGANIC SILICON RADICALS CONTAINING AT LEAST ONE OF THE GROUPS NITROGEN, FLUORINE, PHOSPHORUS OR SULFUR. TARGOR GMBH (DE) 2001-01-23 US disclosed