SCHEMBL289697

SCHEMBL289697

O=C(O)CCCCCCCCCCCCC(C(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
LMNA P02545 2/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
GSTK1 Q9Y2Q3 2/20 0.56
FFAR4 Q5NUL3 2/20 0.54
FFAR1 O14842 2/20 0.54
GPR84 Q9NQS5 3/20 0.52
ALDH1A1 P00352 2/20 0.52
PPARG P37231 3/20 0.50
PPARD Q03181 3/20 0.50
PPARA Q07869 3/20 0.50
HDAC11 Q96DB2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
ENPEP Q07075 1/20 0.50
TLR2 O60603 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL15346300 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL27837396 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL18491280 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL10417268 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL6382669 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL4807149 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL7913017 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL7910158 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL2141548 0.97 LMNA (0.61) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL31389992 0.90 TSHR (0.57) TSHRLMNANFKB1PMP22GSTK1

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-9359581-B2 Biotransformation using genetically modified Candida SYNTHEZYME LLC (US) 2016-06-07 US disclosed
US-20150218486-A1 OXIDATION OF COMPOUNDS USING GENETICALLY MODIFIED CANDIDA SYNTHEZYME LLC (US) 2015-08-06 US disclosed
US-20150094483-A1 BIOTRANSFORMATION USING GENETICALLY MODIFIED CANDIDA INC., DNA TWOPOINTO, INC. 2015-04-02 US disclosed
US-8597923-B2 Oxidation of compounds using genetically modified Candida SyntheZyme, LLC (US) 2013-12-03 US disclosed
US-8158391-B2 Production of an α-carboxyl-ω-hydroxy fatty acid using a genetically modified Candida strain DNA TWOPOINTO, INC. (US) 2012-04-17 US disclosed
EP-2427559-A2 BIOTRANSFORMATION USING GENETICALLY MODIFIED CANDIDA DNA TWOPOINTO INC. (US) 2012-03-14 EP disclosed
WO-2011008231-A2 BIOTRANSFORMATION USING GENETICALLY MODIFIED CANDIDA DNA 2.0 INC. (US) 2011-01-20 WO disclosed
WO-2011008232-A2 BIOSYNTHETIC ROUTES TO LONG-CHAIN a, w-HYDROXY ACIDS, DIACIDS AND THEIR CONVERSION TO OLIGOMERS AND POLYMERS DNA 2.0 INC. (US) 2011-01-20 WO disclosed
US-20100291653-A1 BIOTRANSFORMATION USING GENETICALLY MODIFIED CANDIDA INC., DNA TWOPOINTO, INC. 2010-11-18 US disclosed
US-20100285545-A1 BIOSYNTHETIC ROUTES TO LONG-CHAIN ALPHA,OMEGA-HYDROXYACIDS, DIACIDS AND THEIR CONVERSION TO OLIGOMERS AND POLYMERS INC., DNA TWOPOINTO, INC. 2010-11-11 US disclosed