SCHEMBL1828776

SCHEMBL1828776

CN(C)CC/C=C/c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR2A P28223 4/20 0.46
RELA Q04206 1/20 0.45
NR1I2 O75469 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2C P18825 1/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRK1 P41145 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
EBP Q15125 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL187731 1.00 SIGMAR1 (0.49) SIGMAR1MEN1KMT2AHTR2ARELA
SCHEMBL1058150 0.88 SIGMAR1 (0.46) SIGMAR1MEN1KMT2AHTR2ANR1I2
SCHEMBL11496622 0.88 MEN1 (0.53) SIGMAR1MEN1KMT2AHTR2ARELA
SCHEMBL33528489 0.86 SIGMAR1 (0.47) SIGMAR1MEN1KMT2AHTR2ANR1I2
SCHEMBL11385636 0.84 FLT3 (0.38) SIGMAR1MEN1KMT2AHTR2ARELA
SCHEMBL11440056 0.84 LTA4H (0.54) MEN1KMT2ARELALMNAKDM4E
SCHEMBL4595058 0.84 SIGMAR1 (0.46) SIGMAR1MEN1KMT2AHTR2ARELA
SCHEMBL1829150 0.80 MEN1 (0.49) SIGMAR1MEN1KMT2AHTR2AKCNH2
SCHEMBL11135424 0.80 APP (0.50)
SCHEMBL11135426 0.80 APP (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399594-B2 Blocked-isocyanate silicone resins DOW CORNING CORPORATION (US) 2013-03-19 US disclosed
EP-2102286-B1 BLOCKED ISOCYANATE SILICONE RESINS DOW CORNING (US) 2011-05-11 EP disclosed
US-20100093902-A1 Blocked-Isocyanate Silicone Resins DOW CORNING CORPORATION 2010-04-15 US disclosed
EP-2102286-A1 BLOCKED ISOCYANATE SILICONE RESINS Dow Corning Corporation (US) 2009-09-23 EP disclosed
WO-2008088492-A1 BLOCKED ISOCYANATE SILICONE RESINS DOW CORNING CORPORATRION (US) 2008-07-24 WO disclosed
US-20070167587-A1 Process for producing polymer with functional end KURARAY CO., LTD. (JP) 2007-07-19 US disclosed
EP-1721912-A1 PROCESS FOR PRODUCING POLYMER WITH FUNCTIONAL END KURARAY CO., LTD. (JP) 2006-11-15 EP disclosed