SCHEMBL26498342

SCHEMBL26498342

CCCCCCC(C)O[PH](=O)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SMPD1 P17405 3/20 0.39
ALDH1A1 P00352 1/20 0.39
FDPS P14324 4/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
LAP3 P28838 1/20 0.36
OPRM1 P35372 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.35

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
SCHEMBL2712774 0.90 FAAH (0.43) FAAHCNR1CNR2SMPD1ALDH1A1
SCHEMBL7953601 0.90 FAAH (0.43) FAAHCNR1CNR2SMPD1ALDH1A1
SCHEMBL7955617 0.90 FAAH (0.43) FAAHCNR1CNR2SMPD1ALDH1A1
SCHEMBL11415986 0.90 FAAH (0.43) FAAHCNR1CNR2SMPD1ALDH1A1
SCHEMBL30408974 0.88 FAAH (0.42) FAAHCNR1CNR2SMPD1ALDH1A1
SCHEMBL30229649 0.88 FAAH (0.42) FAAHCNR1CNR2SMPD1ALDH1A1
SCHEMBL30250043 0.88 FAAH (0.42) FAAHCNR1CNR2SMPD1ALDH1A1
SCHEMBL1964832 0.88 FAAH (0.42) FAAHCNR1CNR2SMPD1ALDH1A1
SCHEMBL30250226 0.88 FAAH (0.42) FAAHCNR1CNR2SMPD1ALDH1A1
SCHEMBL29082443 0.85 FAAH (0.40) FAAHCNR1CNR2SMPD1ALDH1A1

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
CN-107365909-B Extraction separation method 中国科学院上海应用物理研究所 2021-03-19 CN disclosed
CN-106631879-A Preparation and application of novel bitriamide organic compounds 四川大学 2017-05-10 CN disclosed