Octyldodecanol

Octyldodecanol

SCHEMBL5684802

CCCCCCCCCCC(CO)CCCCCCCC.CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.75
HTT P42858 3/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
THRB P10828 1/20 0.57
KMT2A Q03164 1/20 0.57
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.46
CES2 O00748 1/20 0.44
CYP2D6 P10635 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 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
SCHEMBL25869402 0.89 LMNA (0.58) LMNAHTTMAPTMEN1THRB
SCHEMBL30198787 0.87 HTT (0.54) LMNAHTTMAPTMEN1THRB
SCHEMBL9218954 0.87 HTT (0.54) LMNAHTTMAPTMEN1THRB
SCHEMBL31188608 0.87 HTT (0.54) LMNAHTTMAPTMEN1THRB
SCHEMBL1734748 0.87 HTT (0.54) LMNAHTTMAPTMEN1THRB
SCHEMBL30585300 0.87 HTT (0.54) LMNAHTTMAPTMEN1THRB
SCHEMBL23926893 0.87 LMNA (1.00) LMNAHTTMAPTMEN1THRB
SCHEMBL23926839 0.87 LMNA (1.00) LMNAHTTMAPTMEN1THRB
SCHEMBL22129739 0.87 LMNA (1.00) LMNAHTTMAPTMEN1THRB
SCHEMBL23362895 0.87 LMNA (1.00) LMNAHTTMAPTMEN1THRB

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
EP-1613354-A2 IMPROVED PENETRATION OF ACTIVE SUBSTANCES INTO CELLS AND ORGANS Bayer HealthCare AG (DE) 2006-01-11 EP disclosed
WO-2004087117-A2 USE OF CYCLIC ACETALS/KETALS FOR IMPROVED PENETRATION OF ACTIVE SUBSTANCES INTO CELLS AND ORGANS BAYER HEALTHCARE AG (DE) 2004-10-14 WO disclosed