SCHEMBL5406094

SCHEMBL5406094

CCCCN(CC(O)CCl)CC(O)COC1CC(C)(C)N([O])C(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5400020 0.89 KDM4E (0.33) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL5405785 0.73 TOP2A (0.31) KDM4EMEN1KMT2A
SCHEMBL7680680 0.73 LMNA (0.36) KDM4EMAPK1TDP1
SCHEMBL8437640 0.73 KDM4E (0.42) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL7515898 0.71 LMNA (0.43) MEN1KMT2A
SCHEMBL7518617 0.69 ALDH1A1 (0.43) KDM4E
SCHEMBL2437027 0.68 EPHX2 (0.33)
SCHEMBL7512516 0.67 HIF1A (0.33) MEN1KMT2A
SCHEMBL8437206 0.67 DNM1 (0.38) KDM4EMAPK1TDP1MEN1KMT2A
SCHEMBL2163885 0.67 MEN1 (0.33) KDM4EMEN1KMT2A

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