Tetradecane

Tetradecane

SCHEMBL3394343

CCCCCCCCCCCCCC.CCCCCCCCCCCCCC.O=S(=O)([O-])[O-].[Na+].[Na+]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Tetradecane. 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
RECQL P46063 2/20 0.61
TSHR P16473 2/20 0.61
GLA P06280 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.61
EPHX2 P34913 1/20 0.61
BLM P54132 1/20 0.61
THRB P10828 1/20 0.53
FAAH O00519 2/20 0.50
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
CA2 P00918 7/20 0.44
CA1 P00915 6/20 0.44
CA9 Q16790 6/20 0.44
CA12 O43570 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44

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
Hexadecane SCHEMBL27472157 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL29027387 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1
Decane SCHEMBL3962532 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1
Tetradecane SCHEMBL2679723 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1
Octane SCHEMBL7174098 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1
Pentadecane SCHEMBL13370387 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1
Heptane SCHEMBL25268199 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL29238029 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1
Dodecane SCHEMBL5903124 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL27540382 1.00 RECQL (0.61) RECQLTSHRGLAHPGDMAPK1

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
US-20140155443-A1 COMPOSITIONS AND METHODS OF TREATMENT FOR PSORIASIS DASCALU AVI (IL) 2014-06-05 US disclosed
EP-2204158-A1 TWO-PART HAIR DYE Kao Corporation (JP) 2010-07-07 EP disclosed