SCHEMBL5405785

SCHEMBL5405785

CCCCNCC(O)COC1CC(C)(C)N([O])C(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HTT P42858 1/20 0.30
ADRB2 P07550 2/20 0.30
ADRB1 P08588 2/20 0.30
EPHX2 P34913 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
SCHEMBL5405789 0.88 KDM4E (0.32) TOP2AKDM4EMEN1KMT2AHTT
SCHEMBL2163885 0.79 MEN1 (0.33) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL13202053 0.77 MEN1 (0.33) KDM4EMEN1KMT2AHTT
SCHEMBL13202049 0.77 MEN1 (0.33) KDM4EMEN1KMT2AHTT
SCHEMBL13202064 0.74 MEN1 (0.30) MEN1KMT2AHTT
SCHEMBL7211170 0.74 MEN1 (0.30) MEN1KMT2AHTT
SCHEMBL5406094 0.73 KDM4E (0.33) KDM4EMEN1KMT2A
SCHEMBL2437027 0.71 EPHX2 (0.33) EPHX2
SCHEMBL24593488 0.70 MEN1 (0.41) KDM4EALDH1A1MEN1KMT2AHTT
Hydroxyamine SCHEMBL18065399 0.70 EPHX2 (0.34) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312332-B2 Such as 1-butyl-3-hydroxy-1-[2-hydroxy-3-(1-oxyl-2,2,6,6-tetramethyl-piperidin-4-yloxy)-propyl]-azetidinium chloride; yellowing and discoloration prevention; ultraviolet, fluorescent and solar light stability; expanding use of high yield pulps to higher grade products CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-12-25 US disclosed
US-6989449-B1 Chlorohydrin and cationic compounds having high affinity for pulp or paper CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-01-24 US disclosed
US-20050092452-A1 Chlorohydrin and cationic compounds having high affinity for pulp or paper CUNKLE GLEN T (US) 2005-05-05 US disclosed
EP-1212486-B1 CHLOROHYDRIN AND CATIONIC COMPOUNDS HAVING HIGH AFFINITY FOR PULP OR PAPER CIBA SC HOLDING AG (CH) 2005-04-06 EP disclosed
EP-1212486-A1 CHLOROHYDRIN AND CATIONIC COMPOUNDS HAVING HIGH AFFINITY FOR PULP OR PAPER Ciba SC Holding AG (CH) 2002-06-12 EP disclosed
WO-2001020078-A1 CHLOROHYDRIN AND CATIONIC COMPOUNDS HAVING HIGH AFFINITY FOR PULP OR PAPER CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 WO disclosed