SCHEMBL1829792

SCHEMBL1829792

CCNCC/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 3/20 0.43
KDM4E B2RXH2 1/20 0.42
IDO1 P14902 2/20 0.41
PAM P19021 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL1829793 1.00 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1828618 0.87 SIGMAR1 (0.45) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1828619 0.87 SIGMAR1 (0.45) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1831307 0.84 HDAC3 (0.48) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1831309 0.84 HDAC3 (0.48) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11031731 0.82 SIGMAR1 (0.53) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11034241 0.81 EGFR (0.52) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11032819 0.81 EGFR (0.52) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9779284 0.81 EGFR (0.52) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11034504 0.81 EGFR (0.52) SIGMAR1HDAC3HDAC4HDAC1HDAC7

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