SCHEMBL29025932

SCHEMBL29025932

CCCCOC(=O)CCP(=O)(OC)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
P2RY10 O00398 4/20 0.41
GPR34 Q9UPC5 2/20 0.41
CYP3A4 P08684 1/20 0.41
NAAA Q02083 1/20 0.41
HTR2C P28335 1/20 0.41
PLA2G2A P14555 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ENPP2 Q13822 2/20 0.38

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
SCHEMBL2239484 0.92 DGKA (0.48) DGKAP2RY10GPR34CYP3A4NAAA
SCHEMBL15951775 0.92 DGKA (0.48) DGKAP2RY10GPR34NAAAHTR2C
SCHEMBL15951826 0.87 DGKA (0.47) DGKAP2RY10GPR34CYP3A4NAAA
SCHEMBL15951687 0.87 DGKA (0.47) DGKAP2RY10GPR34CYP3A4NAAA
SCHEMBL2242380 0.83 CYP3A4 (0.44) DGKAP2RY10GPR34CYP3A4NAAA
SCHEMBL2237629 0.83 DGKA (0.52) DGKAP2RY10GPR34CYP3A4NAAA
SCHEMBL15951870 0.83 DGKA (0.52) DGKAP2RY10GPR34NAAAHTR2C
SCHEMBL2350307 0.83 CYP3A4 (0.44) DGKACYP3A4ALDH1A1
SCHEMBL15951765 0.83 DGKA (0.47) DGKAP2RY10GPR34CYP3A4NAAA
SCHEMBL11494792 0.81 CYP3A4 (0.45) CYP3A4

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