Octane

Octane

SCHEMBL10669586

C=C[Si].CCCCCCCC.CCCCCCCC.CCCCCCCC.CCCCCCCCC(=CC(=O)O)OCC.CCCCCCCCC(=CC(=O)O)OCC.CCCCCCCCC(=CC(=O)O)OCC

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
FAAH O00519 2/20 0.42
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
HDAC11 Q96DB2 5/20 0.40
PTPN1 P18031 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
PAM P19021 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
PDE4A P27815 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Octane SCHEMBL10666738 0.92 FAAH (0.45) TSHRFAAHGPR84PPARGPPARD
SCHEMBL10672206 0.92 FAAH (0.47) TSHRFAAHGPR84PPARGPPARD
Octane SCHEMBL10672069 0.92 FAAH (0.47) TSHRFAAHGPR84PPARGPPARD
Octane SCHEMBL10672248 0.90 FAAH (0.46) TSHRFAAHGPR84PPARGPPARD
Octane SCHEMBL10666563 0.88 FAAH (0.42) TSHRFAAHGPR84PPARGPPARD
Octane SCHEMBL10670249 0.82 EPHX2 (0.44) TSHRFAAHPPARGPPARAALDH1A1
Octane SCHEMBL10671106 0.81 CES2 (0.42) TSHRFAAHALDH1A1TDP1MEN1
Octane SCHEMBL10665418 0.77 CES2 (0.41) TSHRFAAHALDH1A1TDP1MEN1
SCHEMBL10394838 0.77 HCAR2 (0.43) FAAHALDH1A1ALOX15HSD17B10
SCHEMBL136953 0.77 HCAR2 (0.43) FAAHALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748087-A Plastic laminate of furniture foil and method of making THE WIGGINS TEAPE GROUP LIMITED (GB) 1988-05-31 US disclosed
EP-0183764-A1 COATING SUBSTRATES. WIGGINS TEAPE GROUP LTD (GB) 1986-06-11 EP disclosed
WO-1986000084-A1 COATING SUBSTRATES THE WIGGINS TEAPE GROUP LIMITED (GB) 1986-01-03 WO disclosed