SCHEMBL10171066

SCHEMBL10171066

CN1C(C)(C)CCC12CCCCC2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
SOS1 Q07889 1/20 0.32
SOS2 Q07890 1/20 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
SCHEMBL10042815 0.90 TSHR (0.43) TSHRNFKB1CYP2C19SOS1SOS2
SCHEMBL10042812 0.90 TSHR (0.43) TSHRNFKB1CYP2C19SOS1SOS2
SCHEMBL10042813 0.86 TSHR (0.45) TSHRNFKB1CYP2C19SOS1SOS2
SCHEMBL21214213 0.77 TSHR (0.50) TSHRNFKB1CYP2C19
SCHEMBL11139593 0.73
SCHEMBL819484 0.73 TSHR (0.44) TSHRNFKB1CYP2C19
SCHEMBL11139272 0.69
Pempidine SCHEMBL4798468 0.67 TSHR (0.58) TSHRNFKB1CYP2C19
Pempidine SCHEMBL217663 0.67 TSHR (0.58) TSHRNFKB1CYP2C19
Pempidine SCHEMBL5050688 0.65 TSHR (0.56) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2169018-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2012-01-18 EP disclosed
US-7900558-B2 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-08 US disclosed
US-7900558-B2 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM CORPORATION (JP) 2011-03-08 US disclosed
US-20100080926-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080926-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080925-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100080925-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
EP-2169022-A1 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-03-31 EP disclosed
US-20080187727-A1 RADIATION-CURABLE POLYMERIZABLE COMPOSITION, INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PLANOGRAPHIC PRINTING PLATE, AND METHOD FOR FORMING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed
US-20080187727-A1 RADIATION-CURABLE POLYMERIZABLE COMPOSITION, INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, PLANOGRAPHIC PRINTING PLATE, AND METHOD FOR FORMING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2008-08-07 US disclosed
EP-1952982-A1 Radiation-curable polymerizable composition, ink composition, inkjet recording method, printed material, planographic printing plate, and method for forming planographic printing plate FUJIFILM Corporation (JP) 2008-08-06 EP disclosed