Octane

Octane

SCHEMBL29098191

CCC(=O)OS.CCCCCCCC

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.58
DGKA P23743 1/20 0.46
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
DNM1 Q05193 1/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
GPR84 Q9NQS5 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42

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
SCHEMBL1170200 1.00 NAAA (0.58) NAAADGKACES2CES1LMNA
Dodecane SCHEMBL7759918 1.00 NAAA (0.58) NAAADGKACES2CES1LMNA
SCHEMBL9068582 0.88 NAAA (0.47) NAAADGKACES2CES1LMNA
SCHEMBL220819 0.87
SCHEMBL28089595 0.85 NAAA (0.77) NAAADGKADNM1TSHRALDH1A1
SCHEMBL3759119 0.84
SCHEMBL3696669 0.84
SCHEMBL27553224 0.84
SCHEMBL11311561 0.84 ALDH1A1 (0.41) NAAALMNAKMT2ATSHRALDH1A1
Methane SCHEMBL4455400 0.84

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-116964268-A Treatment agent for synthetic fibers and synthetic fibers 竹本油脂株式会社 2023-10-27 CN disclosed