Octanoic Acid

Octanoic Acid

SCHEMBL4027705

CCCCCCCC(=O)O.CN(C)C(c1ccccc1O)(N(C)C)N(C)C

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
HDAC11 Q96DB2 5/20 0.47
TSHR P16473 4/20 0.47
PTPN1 P18031 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
MEN1 O00255 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
Palmitic Acid SCHEMBL27441228 0.82 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL9716530 0.82 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL27415667 0.82 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL27429957 0.82 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL148945 0.76 ALDH1A1 (0.56) TSHRALDH1A1KMT2ATDP1MEN1
Stearic Acid SCHEMBL9177740 0.76 ALDH1A1 (0.62) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL9421018 0.75 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL29440821 0.75 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL29440813 0.75 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL29440810 0.75 GPR84 (0.65) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541075-B2 Sealant material for plastic liquid crystal display cells including one component epoxy resin composition MITSUI CHEMICALS, INC. (JP) 2009-06-02 US disclosed
US-20050249891-A1 Sealant material for plastic liquid crystal display cells including two-component epoxy resin composition MITSUI CHEMICALS INC. (JP) 2005-11-10 US disclosed
US-6913798-B2 Sealing material for plastic liquid crystal display cells including two-component epoxy resin composition MITSUI CHEMICALS, INC. (JP) 2005-07-05 US disclosed
US-20040075802-A1 Sealant for liquid crystal display cell, composition for liquid crystal display cell sealant and liquid crystal display element MITSUI CHEMICALS, INC. (JP) 2004-04-22 US disclosed
US-6555187-B1 Mixture of specified physical properties of an epoxy resin, rubber-like polymer fine particles, inorganic filler, curing agent; use in single layer press hot bonding system, high productivity and humidity resistant MITSUI CHEMICALS, INC. (JP) 2003-04-29 US disclosed
EP-1293536-A1 SEALING MATERIAL FOR PLASTIC LIQUID CRYSTAL DISPLAY CELLS Mitsui Chemicals, Inc. (JP) 2003-03-19 EP disclosed
US-20020176046-A1 Sealing material for plastic liquid crystal display cells MITSUI CHEMICALS, INC. (JP) 2002-11-28 US disclosed
EP-1153952-A1 SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, COMPOSITION FOR SEALING AGENT FOR LIQUID-CRYSTAL DISPLAY CELL, AND LIQUID-CRYSTAL DISPLAY ELEMENT Mitsui Chemicals, Inc. (JP) 2001-11-14 EP disclosed