Octane

Octane

SCHEMBL28167668

CCCCCCCC.O=C1CCC(=O)N1O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.46
FAAH O00519 4/20 0.46
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX5 P09917 2/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
THRB P10828 2/20 0.38
TSHR P16473 1/20 0.38
NAAA Q02083 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
GBA1 P04062 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
Pentane SCHEMBL28218834 0.93 FAAH (0.39) MGLLFAAHKMT2ASMN1; SMN2CYP1A2
Stearic Acid SCHEMBL4612415 0.87 GPR84 (0.61) KMT2ACYP1A2TSHRGPR84ALDH1A1
Decanoic Acid SCHEMBL8712557 0.87 GPR84 (0.61) KMT2ACYP1A2TSHRGPR84ALDH1A1
Myristic Acid SCHEMBL3299115 0.87 GPR84 (0.61) KMT2ACYP1A2TSHRGPR84ALDH1A1
Octanoic Acid SCHEMBL5663459 0.87 GPR84 (0.61) KMT2ACYP1A2TSHRGPR84ALDH1A1
Palmitic Acid SCHEMBL1815959 0.87 GPR84 (0.61) KMT2ACYP1A2TSHRGPR84ALDH1A1
SCHEMBL64127 0.85 EPHX2 (0.42) MGLLFAAHKMT2ASMN1; SMN2CYP1A2
Propane SCHEMBL28183675 0.85 LMNA (0.33) MGLLFAAHGAA
Hexanoate SCHEMBL2098722 0.84 AKR1B1 (0.59) KMT2ACYP1A2TSHRGPR84ALDH1A1
SCHEMBL64005 0.82 EPHX2 (0.40) MGLLFAAHKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103869623-B Coating composition 默克专利有限公司 2017-07-21 CN disclosed