Octane

Octane

SCHEMBL8468280

CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O.CCCCCCCC

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
KMT2A Q03164 4/20 0.59
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
MEN1 O00255 3/20 0.47
VCAM1 P19320 2/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
AGTR1 P30556 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 4/20 0.43
PPARG P37231 4/20 0.43
PPARD Q03181 4/20 0.43
PPARA Q07869 4/20 0.43
GPR84 Q9NQS5 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL9174972 1.00 GAA (0.59) GAAKMT2ATHRATHRBMEN1
Stearic Acid SCHEMBL1592198 0.97 GAA (0.57) GAAKMT2ATHRATHRBMEN1
Docosanol SCHEMBL28725323 0.94 GAA (0.54) GAAKMT2ATHRATHRBMEN1
Cetostearyl Alcohol SCHEMBL15473614 0.94 GAA (0.54) GAAKMT2ATHRATHRBMEN1
Butane SCHEMBL11762703 0.92 GAA (0.64) GAAKMT2AMEN1VCAM1ALDH1A1
SCHEMBL6061051 0.92 THRA (0.54) GAAKMT2ATHRATHRBMEN1
SCHEMBL10697420 0.92 GAA (0.52) GAAKMT2ATHRATHRBMEN1
SCHEMBL29128748 0.92 GAA (0.54) GAAKMT2ATHRATHRBMEN1
SCHEMBL39190 0.91 GAA (0.66) GAAKMT2AMEN1VCAM1ALDH1A1
SCHEMBL11766653 0.90 GAA (0.50) GAAKMT2ATHRATHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869184-A RESIN RAW MATERIALS FOR PAINTS, ADHESIVES MITSUI TOATSU CHEMICALS, INC. (JP) 1999-02-09 US disclosed
US-5744504-A AMINO RESIN; THERMOSETTING MOLDING MATERIALS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-28 US disclosed