Octane

Octane

SCHEMBL28018307

CC1=CC=CC1.CCCCCCCC

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
THRB P10828 1/20 0.38
DNM1 Q05193 3/20 0.36
HTT P42858 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
TP53 P04637 2/20 0.32
NR5A1 Q13285 1/20 0.32
PLA2G4B P0C869 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
APAF1 O14727 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAD52 P43351 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL28716679 0.88
SCHEMBL27932394 0.86
SCHEMBL336845 0.82
SCHEMBL135427 0.82
SCHEMBL27584511 0.82
SCHEMBL7631764 0.79
SCHEMBL38652630 0.79
SCHEMBL31138842 0.79
SCHEMBL29195107 0.79
SCHEMBL30818996 0.79

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-104830387-A Emission reduction diesel antifreezing agent MA JIAN 2015-08-12 CN disclosed