SCHEMBL27637869

SCHEMBL27637869

CCCCCCCCCCCCCCCC(C)(C)n1ccnc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.65
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP17A1 P05093 2/20 0.35
CYP19A1 P11511 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TBXA2R P21731 2/20 0.32

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
SCHEMBL5295951 1.00 TBXAS1 (0.65) TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1
SCHEMBL27683088 1.00 TBXAS1 (0.65) TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1
SCHEMBL27663546 1.00 TBXAS1 (0.65) TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1
SCHEMBL21191570 1.00 TBXAS1 (0.65) TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1
SCHEMBL5307325 1.00 TBXAS1 (0.65) TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1
SCHEMBL5292390 1.00 TBXAS1 (0.65) TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1
SCHEMBL2229395 0.98 TBXAS1 (0.62) TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1
Iodide SCHEMBL27640299 0.96 TBXAS1 (0.60) TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1
SCHEMBL22023938 0.93 TBXAS1 (0.59) TBXAS1CYP3A4CYP2D6CYP17A1CYP19A1
SCHEMBL21017196 0.86 TBXAS1 (0.49) TBXAS1HSP90AA1CYP3A4CYP2D6CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516600-A Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP 2012-06-27 CN disclosed
CN-101565499-B Polyester polycondensation catalyst, preparation method and application thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2011-12-21 CN disclosed
CN-101501122-B Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2011-12-07 CN disclosed
CN-1823123-B Strippable semi-conductive insulation shield UNION CARBIDE CHEM PLASTIC 2011-07-27 CN disclosed
CN-101565499-A Polyester polycondensation catalyst, preparation method and application thereof CHINESE ACAD INST CHEMISTRY (CN) 2009-10-28 CN disclosed
CN-101506284-A Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP (NL) 2009-08-12 CN disclosed
CN-101506287-A Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP (NL) 2009-08-12 CN disclosed
CN-101506288-A Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP (NL) 2009-08-12 CN disclosed
CN-101506289-A Phosphonium salts for polymer composites and their preparation SABIC INNOVATIVE PLASTICS IP (NL) 2009-08-12 CN disclosed
CN-101506276-A Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP (NL) 2009-08-12 CN disclosed
CN-101506290-A Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP (NL) 2009-08-12 CN disclosed
CN-101506243-A Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP (NL) 2009-08-12 CN disclosed
CN-101501122-A Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP (NL) 2009-08-05 CN disclosed
CN-101501123-A Compositions and methods for polymer composites SABIC INNOVATIVE PLASTICS IP (NL) 2009-08-05 CN disclosed
CN-1823123-A Strippable semi-conductive insulation shield UNION CARBIDE CHEM PLASTIC (US) 2006-08-23 CN disclosed