Dectaflur

Dectaflur

SCHEMBL11082170

CCCCCCCC/C=C\CCCCCCCCN.CCCCOP(=S)(S)OCCCC

nearest known ligand 0.57

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.57
LPAR2 Q9HBW0 5/20 0.57
LPAR1 Q92633 5/20 0.57
SLC6A5 Q9Y345 2/20 0.42
DNM1 Q05193 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 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
Dectaflur SCHEMBL5448731 0.97 LPAR3 (0.61) LPAR3LPAR2LPAR1SLC6A5DNM1
Dodecylamine SCHEMBL11084905 0.90 DNM1 (0.52) LPAR3LPAR2LPAR1DNM1MEN1
Octadecylamine SCHEMBL38658278 0.90 DNM1 (0.52) LPAR3LPAR2LPAR1DNM1MEN1
Dodecylamine SCHEMBL27830346 0.88 LPAR3 (0.52) LPAR3LPAR2LPAR1DNM1MEN1
SCHEMBL8467850 0.88 LPAR3 (0.71) LPAR3LPAR2LPAR1
Dodecylamine SCHEMBL11060817 0.86 LPAR3 (0.53) LPAR3LPAR2LPAR1DNM1MEN1
Dectaflur SCHEMBL11077288 0.86 LPAR3 (0.64) LPAR3LPAR2LPAR1SLC6A5MEN1
Dectaflur SCHEMBL11087909 0.83 LPAR3 (0.69) LPAR3LPAR2LPAR1SLC6A5
Ethylenediamine SCHEMBL11604237 0.82 LPAR3 (0.57) LPAR3LPAR2LPAR1DNM1MEN1
Ethylenediamine SCHEMBL27658223 0.82 CYP3A4 (0.46) LPAR3LPAR2LPAR1DNM1MEN1

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
US-4431552-A EXTREME PRESSURE LUBRICANTS; WEAR RESISTANCE CHEVRON RESEARCH COMPANY (US) 1984-02-14 US disclosed