SCHEMBL5649672

SCHEMBL5649672

CN1C(C)(C)CC(C(CCC(=O)O)(C(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 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
SCHEMBL463019 0.91 CYP1A2 (0.31) CYP1A2
SCHEMBL9466511 0.88 TSHR (0.34) MEN1ALDH1A1KMT2ATSHRNFKB1
SCHEMBL34980 0.88 TSHR (0.34) MEN1ALDH1A1KMT2ATSHRNFKB1
SCHEMBL5448838 0.87 MEN1 (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
Ammonia Solution, Strong SCHEMBL10013113 0.87 TSHR (0.33) MEN1ALDH1A1KMT2ATSHRNFKB1
SCHEMBL5889385 0.83 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL3212526 0.81 TBXAS1 (0.32)
Citric Acid SCHEMBL987408 0.80 ALDH1A1 (0.36) MEN1ALDH1A1CYP1A2KMT2ATSHR
Citric Acid SCHEMBL987409 0.80 ALDH1A1 (0.36) MEN1ALDH1A1CYP1A2KMT2ATSHR
SCHEMBL313717 0.79 GAA (0.37) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297734-B2 Process for preparing synergistic stabilizer mixtures CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-11-20 US disclosed
US-7105590-B2 Phenolfree stabilization of polyolefins CLARIANT FINANCE (BVI) LIMITED (VG) 2006-09-12 US disclosed
US-20050228086-A1 Selective oxidation of sodium sulfide in kraft cooking liquors CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2005-10-13 US disclosed
US-20040186207-A1 Phenolfree stabilization of polyolefins CLARIANT FINANCE (BVI) LIMITED (VG) 2004-09-23 US disclosed
EP-0981530-B1 COMPOUNDS ON THE BASIS OF POLYALKYL-1-OXA-DIAZASPIRODECANE COMPOUNDS CLARIANT GMBH (DE) 2003-02-19 EP disclosed
EP-1232210-A1 USE OF PHTHALIDES IN STABILISER MIXTURES FOR ORGANIC MATERIALS Clariant Finance (BVI) Limited (VG) 2002-08-21 EP disclosed
EP-1148090-A1 Flame retardant polymers Clariant Finance (BVI) Limited (VG) 2001-10-24 EP disclosed
WO-2001032762-A1 USE OF PHTHALIDES IN STABILISER MIXTURES FOR ORGANIC MATERIALS CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-10 WO disclosed
EP-1078929-A2 Sterically hindered amines Clariant Finance (BVI) Limited (VG) 2001-02-28 EP disclosed
US-5021485-A Light stabilizer combination CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed