SCHEMBL29025936

SCHEMBL29025936

CCCOC.CCCOC(=O)CCP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.41
LPAR3 Q9UBY5 3/20 0.36
LPAR2 Q9HBW0 1/20 0.36
ENPP2 Q13822 5/20 0.36
ALOX15 P16050 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
DNM1 Q05193 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
HTR2C P28335 1/20 0.34

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
Butane SCHEMBL2238380 0.92 DGKA (0.44) DGKALPAR3LPAR2ENPP2ADRA2A
Butane SCHEMBL2239460 0.81 DGKA (0.50) DGKALPAR3LPAR2ENPP2DNM1
Butane SCHEMBL2242245 0.81 DGKA (0.50) DGKALPAR3LPAR2DNM1HTR2C
SCHEMBL2397289 0.81 DGKA (0.44) DGKALPAR3LPAR2ENPP2ADRA2A
SCHEMBL29016532 0.81 ALOX15 (0.47) ALOX15SMN1; SMN2
SCHEMBL11331413 0.80 NAAA (0.58) DGKALPAR3LPAR2DNM1HTR2C
SCHEMBL9642883 0.80 NAAA (0.58) DGKALPAR3LPAR2DNM1HTR2C
SCHEMBL30500740 0.80 NAAA (0.58) DGKALPAR3LPAR2DNM1HTR2C
SCHEMBL11327249 0.80 NAAA (0.58) DGKALPAR3LPAR2DNM1HTR2C
SCHEMBL11318096 0.80 NAAA (0.58) DGKALPAR3LPAR2DNM1HTR2C

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
CN-115141226-A Preparation method of 3- (methyl alkoxy phosphoryl) propionate 浙江新安化工集团股份有限公司 2022-10-04 CN disclosed