SCHEMBL7602766

SCHEMBL7602766

CC1=C2CCC3=C(C)C(c4ccccc43)[Zr](C)(C)C1c1ccccc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH1 P35367 1/20 0.33
HTR3A P46098 1/20 0.33
PDE4D Q08499 1/20 0.33
GPR3 P46089 1/20 0.31
POLB P06746 1/20 0.31
PBRM1 Q86U86 1/20 0.30
TNKS2 Q9H2K2 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
SCHEMBL6895735 0.95 ADRA2C (0.32) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL4444119 0.84 ADRA2C (0.32) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL5345743 0.79 HTR1A (0.34)
SCHEMBL7602945 0.77 ADRA2C (0.31) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL797503 0.76 BCHE (0.36)
SCHEMBL5354721 0.75 HTR1A (0.33)
SCHEMBL7711841 0.74 GPR3 (0.31) GPR3POLBPBRM1TNKS2
SCHEMBL7597779 0.73 IDO1 (0.33) GPR3POLB
SCHEMBL5347817 0.73 PBRM1 (0.33) GPR3POLBPBRM1TNKS2
Hydrochloric Acid SCHEMBL218728 0.70 ADRA2C (0.36) ADRA2CPTGS2HRH1HTR3APDE4D

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 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