Octane

Octane

SCHEMBL28867211

CCCCCCCC.CCCCCCCCNC.CN(C(=O)CCCCC1CCSS1)C(=O)CCCCC1CCSS1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.49
TARDBP Q13148 2/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL22140495 0.79 ACHE (0.50) ACHEHSD17B10KMT2ATARDBPCYP2C9
SCHEMBL1684253 0.79 ACHE (0.50) ACHEHSD17B10KMT2ATARDBPCYP2C9
SCHEMBL16374022 0.79 CA12 (0.65) ACHEHSD17B10KMT2ATARDBPCYP2C9
SCHEMBL15323753 0.79 CA12 (0.65) ACHEHSD17B10KMT2ATARDBPCYP2C9
SCHEMBL2380759 0.79 CA12 (0.65) ACHEHSD17B10KMT2ATARDBPCYP2C9
SCHEMBL19786736 0.79 CA12 (0.65) ACHEHSD17B10KMT2ATARDBPCYP2C9
SCHEMBL2380754 0.79 CA12 (0.65) ACHEHSD17B10KMT2ATARDBPCYP2C9
SCHEMBL13377695 0.79 HSD17B10 (0.57) ACHEHSD17B10KMT2ATARDBPCYP2C9
Hydrochloric Acid SCHEMBL1937397 0.78 ACHE (0.49) ACHEHSD17B10KMT2ATARDBPCYP2C9
SCHEMBL2379525 0.78 CA12 (0.66) ACHEHSD17B10KMT2ATARDBPCYP2C9

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-111562321-B Fecal metabolite for detecting active tuberculosis and detection system thereof 广东省结核病控制中心 2022-10-28 CN disclosed