SCHEMBL10171079

SCHEMBL10171079

C=Cc1ccc(CN(C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ PYCR1 P32322 1/20 0.34
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ APLNR P35414 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL13463901 0.83 ALDH1A1 (0.39) ALDH1A1TSHRHDAC8PYCR1CHRNB2
SCHEMBL13463904 0.79 ALDH1A1 (0.39) ALDH1A1TSHRHDAC8PYCR1TDP1
SCHEMBL18874552 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHDAC8PYCR1CHRNB2
SCHEMBL465236 0.77 HRH3 (0.56) ALDH1A1TSHRHDAC8PYCR1CHRNB2
SCHEMBL6391713 0.77 PYCR1 (0.50) ALDH1A1TSHRHDAC8PYCR1HRH3
SCHEMBL18493213 0.76 ALDH1A1 (0.55) ALDH1A1TSHRHDAC8PYCR1CHRNB2
SCHEMBL18868383 0.75 PYCR1 (0.48) ALDH1A1TSHRHDAC8PYCR1HRH3
Hydrochloric Acid SCHEMBL1396391 0.75 HRH3 (0.54) ALDH1A1TSHRHDAC8PYCR1CHRNB2
Ethane SCHEMBL6027727 0.75 HRH3 (0.54) ALDH1A1TSHRHDAC8PYCR1CHRNB2
SCHEMBL610314 0.74 ALDH1A1 (0.38) ALDH1A1TSHRHDAC8PYCR1MEN1

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 12 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
EP-2169022-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2011-11-16 — — 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-2169018-A2 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
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