Octane

Octane

SCHEMBL14908686

CCCCCCCC.CCO.Cc1ccccc1C

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Octane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ACHE P22303 1/20 0.50
P2RX7 Q99572 1/20 0.47
LIPG Q9Y5X9 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 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
O-Xylene SCHEMBL27774107 0.92 TSHR (0.59) TSHRACHEP2RX7LIPGALDH1A1
Dodecane SCHEMBL28874984 0.92 TSHR (0.59) TSHRACHEP2RX7LIPGALDH1A1
Decane SCHEMBL15200902 0.92 TSHR (0.59) TSHRACHEP2RX7LIPGALDH1A1
Decane SCHEMBL9863298 0.92 TSHR (0.59) TSHRACHEP2RX7LIPGALDH1A1
Hexadecane SCHEMBL9547561 0.92 TSHR (0.59) TSHRACHEP2RX7LIPGALDH1A1
O-Xylene SCHEMBL10941793 0.92 TSHR (0.59) TSHRACHEP2RX7LIPGALDH1A1
Octane SCHEMBL8046192 0.92 TSHR (0.59) TSHRACHEP2RX7LIPGALDH1A1
Nonane SCHEMBL10943433 0.92 TSHR (0.59) TSHRACHEP2RX7LIPGALDH1A1
O-Xylene SCHEMBL7635740 0.92 TSHR (0.59) TSHRACHEP2RX7LIPGALDH1A1
Octanol SCHEMBL3281086 0.91 ALDH1A1 (0.59) TSHRACHEP2RX7LIPGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589428-B1 SILICA FILM FILTER NGK INSULATORS LTD (JP) 2023-07-26 EP disclosed
US-9579610-B2 Method for manufacturing silica membrane filter, and silica membrane filter NGK INSULATORS, LTD. (JP) 2017-02-28 US disclosed
US-20150053605-A1 METHOD FOR MANUFACTURING SILICA MEMBRANE FILTER, AND SILICA MEMBRANE FILTER NGK INSULATORS, LTD. (JP) 2015-02-26 US disclosed
EP-2832428-A1 METHOD FOR MANUFACTURING SILICA MEMBRANE FILTER, AND SILICA MEMBRANE FILTER NGK Insulators, Ltd. (JP) 2015-02-04 EP disclosed
US-8764889-B2 Silica film filter and process for producing silica film filter NGK INSULATORS, LTD. (JP) 2014-07-01 US disclosed
US-20130112078-A1 SILICA FILM FILTER AND PROCESS FOR PRODUCING SILICA FILM FILTER NGK INSULATORS, LTD. (JP) 2013-05-09 US disclosed
EP-2589428-A1 SILICA FILM FILTER AND PROCESS FOR PRODUCING SILICA FILM FILTER NGK Insulators, Ltd. (JP) 2013-05-08 EP disclosed