SCHEMBL7113191

SCHEMBL7113191

CC1(C)CCC(C(CCCCCCCC(=O)O)(C(=O)O)C2CCC(C)(C)N(O)C2(C)C)C(C)(C)N1O

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.31
TSHR P16473 5/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
GPR84 Q9NQS5 7/20 0.30
PPARG P37231 7/20 0.30
PPARD Q03181 7/20 0.30
PPARA Q07869 7/20 0.30
HDAC11 Q96DB2 5/20 0.30
PTPN1 P18031 3/20 0.30
ALDH1A1 P00352 2/20 0.30
TLR2 O60603 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
FABP4 P15090 2/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
MEN1 O00255 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
SCHEMBL333181 0.87 TBXAS1 (0.31) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL38826 0.79 PPARG (0.35) TSHRGPR84PPARGPPARDPPARA
SCHEMBL9230299 0.78 TSHR (0.30) TSHRNFKB1
SCHEMBL11173428 0.77
SCHEMBL3853180 0.76
SCHEMBL4339507 0.76 TSHR (0.31) TSHRNFKB1
SCHEMBL316765 0.76 TSHR (0.34) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL5448887 0.76 TSHR (0.34) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL5453694 0.76 TSHR (0.34) TBXAS1TSHRLMNANFKB1PMP22
SCHEMBL5450327 0.76 TSHR (0.34) TBXAS1TSHRLMNANFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638997-B2 Used for stabilizing polyolefin and automotive coating formulation against the deleterious effects of oxidative, thermal and actinic radiation CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-28 US disclosed
US-6420463-B1 HEAT RESISTANCE, OXIDATION RESISTANCE OR PHOTOSTABILITY CIBA SPECIALTY CHEMICALS CORP. 2002-07-16 US disclosed
EP-0912471-A1 POLYMERISATION INHIBITOR A.H. Marks & Co. Limited (GB) 1999-05-06 EP disclosed
WO-1998002400-A1 POLYMERISATION INHIBITOR A.H. MARKS AND COMPANY LIMITED (GB) 1998-01-22 WO disclosed