SCHEMBL3281006

SCHEMBL3281006

CC(C)([N]C(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2B6 P20813 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL3447537 0.82 MAPK1 (0.48) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL3447538 0.82 MAPK1 (0.48) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL8198683 0.78 MAPK1 (0.44) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL246162 0.78 ALDH1A1 (0.46) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL9405343 0.78 KCNN4 (0.44) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL10608306 0.76 MAPK1 (0.42) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL10608311 0.76 MAPK1 (0.42) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL1128040 0.73 MAPK1 (0.50) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL10342932 0.72 ALDH1A1 (0.48) KCNN4MAPK1ALDH1A1TAAR1ALOX15
SCHEMBL16401677 0.72 PDE2A (0.44) KCNN4MAPK1ALDH1A1TAAR1ALOX15

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-7709547-B2 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION (JP) 2010-05-04 US disclosed
EP-1787809-B1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORP (JP) 2008-08-13 EP disclosed
US-20070115326-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate FUJIFILM CORPORATION 2007-05-24 US disclosed
EP-1787809-A1 Ink composition, inkjet recording method, printed material, production method of a planographic printing plate and planographic printing plate Fujifilm Corporation (JP) 2007-05-23 EP disclosed