SCHEMBL9901823

SCHEMBL9901823

CC(C)(C)OOCCCCCCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 5/20 0.48
LMNA P02545 2/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
GPR84 Q9NQS5 8/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
PTPN1 P18031 3/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45

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
SCHEMBL2230621 0.98 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL3096824 0.92 ALDH1A1 (0.43) ALDH1A1TSHRLMNANFKB1PMP22
Azelaic Acid SCHEMBL27377315 0.85 TSHR (0.60) ALDH1A1TSHRLMNANFKB1PMP22
Hydrogen Peroxide SCHEMBL28108245 0.85 TSHR (0.37) ALDH1A1TSHRTDP1
SCHEMBL3878580 0.84 PAOX (0.43) ALDH1A1LMNAHDAC11
SCHEMBL19118007 0.83 ALDH1A1 (0.37) ALDH1A1TSHRLMNANFKB1PMP22
Adipic Acid SCHEMBL28325141 0.83 LMNA (0.58) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL8612928 0.81 DGKA (0.37) ALDH1A1TSHRLMNA
SCHEMBL6662434 0.81 ALDH1A1 (0.47) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL29461450 0.80 ALDH1A1 (0.37) ALDH1A1TSHRLMNANFKB1PMP22

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-20210087321-A1 BLOCK COPOLYMERIZATION OF ETHYLENE BY COBALT-MEDIATED RADICAL POLYMERIZATION Université de Liège (BE) 2021-03-25 US disclosed
EP-2649104-A1 CONTROLLED RADICAL POLYMERIZATION OF HALOGENATED MONOMERS Universite De Liege (BE) 2013-10-16 EP disclosed
US-20130261267-A1 CONTROLLED RADICAL POLYMERIZATION OF HALOGENATED MONOMERS UNIVERSITE DE LIEGE (BE) 2013-10-03 US disclosed
WO-2012076542-A1 CONTROLLED RADICAL POLYMERIZATION OF HALOGENATED MONOMERS SOLVAY SA (BE) 2012-06-14 WO disclosed