SCHEMBL9160891

SCHEMBL9160891

CC(C)(C)OOC(CCCCCCC(=O)O)(OOC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
LMNA P02545 2/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
PTPN1 P18031 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
TLR2 O60603 2/20 0.41
FABP4 P15090 2/20 0.41
FFAR1 O14842 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL5147659 0.93 TSHR (0.41) TSHRLMNANFKB1PMP22ALDH1A1
Azelaic Acid SCHEMBL27377315 0.84 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL9814516 0.83 TSHR (0.48) TSHRLMNANFKB1PMP22ALDH1A1
Adipic Acid SCHEMBL28325141 0.82 LMNA (0.58) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL11217016 0.79 LMNA (0.44) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL29259807 0.78 CES2 (0.35) TSHRALDH1A1GPR84PPARGPPARD
SCHEMBL29012021 0.77 TSHR (0.50) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL29012011 0.77 TSHR (0.50) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL29012035 0.77 TSHR (0.50) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL29257967 0.77 TSHR (0.50) TSHRLMNANFKB1PMP22ALDH1A1

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-5347055-A Oligomers of styrene as flegmatizers for organic peroxides THE DOW CHEMICAL COMPANY (US) 1994-09-13 US claimed
EP-0644916-A1 OLIGOMERS OF STYRENE AS FLEGMATIZERS FOR ORGANIC PEROXIDES THE DOW CHEMICAL COMPANY (US) 1995-03-29 EP disclosed
US-5347055-A Oligomers of styrene as flegmatizers for organic peroxides THE DOW CHEMICAL COMPANY (US) 1994-09-13 US disclosed
WO-1993025615-A1 OLIGOMERS OF STYRENE AS FLEGMATIZERS FOR ORGANIC PEROXIDES THE DOW CHEMICAL COMPANY (US) 1993-12-23 WO disclosed