SCHEMBL13610317

SCHEMBL13610317

C[Si](C)(C)O[Si](C)(CCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)O[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
PTGER4 P35408 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 1/20 0.40
FFAR4 Q5NUL3 3/20 0.39
FFAR1 O14842 2/20 0.39
SCN5A Q14524 6/20 0.39
CYP2C9 P11712 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP19A1 P11511 2/20 0.38
CYP2C19 P33261 2/20 0.38
KIF11 P52732 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 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
SCHEMBL13110630 0.84 HRH2 (0.40) HRH2HRH1PTGER4CYP2D6CYP3A4
SCHEMBL13610328 0.83 LMNA (0.46) CYP2D6CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL13610320 0.78 HRH3 (0.49) HRH2HRH1HDAC1HDAC2
SCHEMBL13610321 0.77 CYP2D6 (0.53) CYP2D6CYP3A4CYP2C9CYP1A2CYP19A1
SCHEMBL13610331 0.76 LMNA (0.46) CYP2D6CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL13318388 0.75 LTA4H (0.51) CYP2D6CYP3A4CYP1A2CYP19A1CYP2C19
SCHEMBL2056313 0.75 HRH2 (0.50) HRH2HRH1PTGER4CA12CA9
SCHEMBL2577644 0.75 KCNA3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14930514 0.73 HRH2 (0.46) HRH2HRH1PTGER4FFAR4FFAR1
SCHEMBL14930469 0.73 HRH2 (0.46) HRH2HRH1PTGER4FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7623203-B2 Light modulating material FUJIFILM CORPORATION (JP) 2009-11-24 US disclosed
US-20080094551-A1 Light modulating material FUJIFILM CORPORATION 2008-04-24 US disclosed
US-20070218216-A1 Light modulating material FUJIFILM CORPORATION 2007-09-20 US disclosed