Dectaflur

Dectaflur

SCHEMBL11077288

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

nearest known ligand 0.64

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 12/20 0.64
LPAR2 Q9HBW0 10/20 0.64
LPAR1 Q92633 6/20 0.64
SLC6A5 Q9Y345 2/20 0.44
P2RY10 O00398 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SOAT1 P35610 1/20 0.41
KMT2A Q03164 1/20 0.41

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 SCHEMBL11087909 0.97 LPAR3 (0.69) LPAR3LPAR2LPAR1SLC6A5P2RY10
Dodecylamine SCHEMBL11084017 0.90 LPAR3 (0.57) LPAR3LPAR2LPAR1ALDH1A1MEN1
SCHEMBL8468251 0.89 LPAR3 (0.80) LPAR3LPAR2LPAR1
Dodecylamine SCHEMBL11065806 0.87 LPAR3 (0.62) LPAR3LPAR2LPAR1ALDH1A1MEN1
Dectaflur SCHEMBL11082170 0.86 LPAR3 (0.57) LPAR3LPAR2LPAR1SLC6A5ALDH1A1
Dectaflur SCHEMBL11060780 0.84 LPAR3 (0.61) LPAR3LPAR2LPAR1SLC6A5P2RY10
Oleamide SCHEMBL11077328 0.84 FAAH (0.66) LPAR3LPAR2LPAR1CNR1MEN1
SCHEMBL13355657 0.83 LPAR3 (0.71) LPAR3LPAR2LPAR1P2RY10
SCHEMBL13355654 0.83 LPAR3 (0.71) LPAR3LPAR2LPAR1P2RY10
Dectaflur SCHEMBL5448731 0.83 LPAR3 (0.61) LPAR3LPAR2LPAR1SLC6A5ALDH1A1

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