Octane

Octane

SCHEMBL2806550

CCCCCCCC.Oc1c(Cl)cccc1-c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
SOAT1 P35610 3/20 0.46
HNF4A P41235 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
EGFR P00533 2/20 0.41
ERBB2 P04626 1/20 0.41
PTPN1 P18031 1/20 0.40
CFTR P13569 2/20 0.39
HSD11B1 P28845 1/20 0.39
CNR2 P34972 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL669192 0.86 CYP2A6 (0.62) CYP2A6HNF4AHDAC4HDAC2HDAC8
Potassium SCHEMBL29827094 0.84 CYP2A6 (0.60) CYP2A6HNF4AHDAC4HDAC2HDAC8
Tetrabuthylammonium SCHEMBL28567513 0.78 SOAT1 (0.43) SOAT1HNF4AHDAC4HDAC2HDAC8
SCHEMBL5672731 0.78 SOAT1 (0.54) SOAT1PTPN1
SCHEMBL28574879 0.78 SOAT1 (0.43) SOAT1HNF4AHDAC4HDAC2HDAC8
SCHEMBL28895941 0.77 NR1H2 (0.46) CYP2A6PTPN1HSD11B1ELANECTSG
SCHEMBL2806552 0.77 PTGS2 (0.46) KDM4EEGFRHSD11B1
SCHEMBL5458363 0.77 ALOX5 (0.55) ELANECTSGPDCD1CD274
SCHEMBL9257290 0.76 THRA (0.53) SOAT1HDAC6KDM4EMAPTPTPN1
SCHEMBL9123358 0.76 THRA (0.53) SOAT1HDAC6KDM4EMAPTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207416-B1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM IMERYS FILTRATION MINERALS INC (US) 2018-11-07 EP disclosed
US-20100239679-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2010-09-23 US disclosed
EP-2207416-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM World Minerals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045941-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2009-04-09 WO disclosed