SCHEMBL9320446

SCHEMBL9320446

CC(OCCN(C)CCO)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PIK3CD O00329 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL15682759 0.83 SLC29A1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL110077 0.80
SCHEMBL8081024 0.76 LTA4H (0.39) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL3731822 0.75 CHRM2 (0.42) CHRNB2CHRNA4LMNAALDH1A1MAPT
SCHEMBL16991083 0.74 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9542064 0.74 CHRNB2 (0.30) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17293544 0.72 MEN1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL18572064 0.72 LMNA (0.51) LMNAALDH1A1MAPTPIK3CDSLC6A4
SCHEMBL320363 0.71 MAPT (0.44) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL9025201 0.71 LMNA (0.41) CHRNB2CHRNB4CHRNA3CHRNA4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102037038-B Polyurethane foam-forming compositions containing polysilsesquioxane cell opening agents MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2014-10-08 CN disclosed
CN-102037038-A Polyurethane foam-forming compositions containing polysilsesquioxane cell opening agents MOMENTIVE PERFORMANCE MAT INC 2011-04-27 CN disclosed
EP-0342439-B1 Process for the aftertreatment of dyed textile materials BAYER AG (DE) 1994-01-19 EP disclosed
EP-0504448-A1 Process for the preparation of polyurea elastomerbased foamed masses Huntsman International Trading Deutschland GmbH (DE) 1992-09-23 EP disclosed
US-4964875-A Process for after-treatment of dyed polyamide textile materials with polyurethane containing quaternary ammonium groups BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed