SCHEMBL1831471

SCHEMBL1831471

CNCC/C=C/c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.64
CHRNB4 P30926 2/20 0.64
CHRNA3 P32297 2/20 0.64
CHRNA7 P36544 2/20 0.64
CHRNA4 P43681 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
MEN1 O00255 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
KMT2A Q03164 1/20 0.64
SIGMAR1 Q99720 2/20 0.49
HTR2A P28223 4/20 0.46
IDO1 P14902 2/20 0.44
PAM P19021 1/20 0.44
ATM Q13315 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL1256496 1.00 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11496622 0.88 MEN1 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1829792 0.80 SIGMAR1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1829793 0.80 SIGMAR1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10628469 0.80 IDO1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10430031 0.79 IDO1 (0.56) SIGMAR1HTR2AIDO1PAMNPC1
SCHEMBL7939387 0.79 IDO1 (0.56) SIGMAR1HTR2AIDO1PAMNPC1
SCHEMBL7568412 0.79 IDO1 (0.56) SIGMAR1HTR2AIDO1PAMNPC1
SCHEMBL28301062 0.79 PRMT1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1828619 0.79 SIGMAR1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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