SCHEMBL6429626

SCHEMBL6429626

CCCCOC(=O)CCP(C)(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
CYP3A4 P08684 1/20 0.44
P2RY10 O00398 4/20 0.43
GPR34 Q9UPC5 2/20 0.43
NAAA Q02083 1/20 0.43
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DNM1 Q05193 1/20 0.40
ATM Q13315 1/20 0.40
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39

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 0.84 DGKA (0.48) DGKACYP3A4P2RY10GPR34NAAA
SCHEMBL28392407 0.84 DGKA (0.52) DGKAP2RY10GPR34NAAAHTR2C
SCHEMBL2397915 0.82 DGKA (0.50) DGKAP2RY10GPR34NAAAHTR2C
SCHEMBL11573694 0.82 CYP3A4 (0.47) CYP3A4ALDH1A1ATMLPAR3LPAR1
SCHEMBL9290975 0.81 DGKA (0.46) DGKACYP3A4P2RY10GPR34NAAA
SCHEMBL340419 0.81 DGKA (0.46) DGKACYP3A4P2RY10GPR34NAAA
SCHEMBL29025932 0.80 DGKA (0.44) DGKACYP3A4P2RY10GPR34NAAA
SCHEMBL15951826 0.79 DGKA (0.47) DGKACYP3A4P2RY10GPR34NAAA
SCHEMBL2237629 0.79 DGKA (0.52) DGKACYP3A4P2RY10GPR34NAAA
SCHEMBL15951765 0.79 DGKA (0.47) DGKACYP3A4P2RY10GPR34NAAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4279594-A None JP disclosed
EP-1308451-B1 Process for the preparation of carboxyethylmethyl phosphinic acid glycol ester CLARIANT GMBH (DE) 2005-01-19 EP disclosed
EP-1308451-A1 Process for the preparation of carboxyethylmethyl phosphinic acid glycol ester Clariant GmbH (DE) 2003-05-07 EP disclosed
EP-0436937-B1 Process for synthesis of methyl-(2-carboalkoxy-ethyl)-phosphinic acid alkyl esters HOECHST SCHERING AGREVO GMBH (DE) 1995-04-05 EP disclosed
JP-H04279594-A SYNTHESIS METHDO OF ALKYL METHYL-(2-CARBOALKOXYETHYL) PHOSPHINATE HOECHST AG 1992-10-05 JP disclosed
EP-0436937-A1 Process for synthesis of methyl-(2-carboalkoxy-ethyl)-phosphinic acid alkyl esters Hoechst Schering AgrEvo GmbH (DE) 1991-07-17 EP disclosed