SCHEMBL21804584

SCHEMBL21804584

CCCCCCCCC(=O)OCCCC(CP(=O)(OCC)OCC)C(=O)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
P2RY10 O00398 4/20 0.45
GPR34 Q9UPC5 2/20 0.45
PLA2G2A P14555 2/20 0.43
ENPP2 Q13822 6/20 0.43
LPAR1 Q92633 3/20 0.43
LPAR3 Q9UBY5 3/20 0.43
LPAR6 P43657 1/20 0.43
LPAR4 Q99677 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43
DNM1 Q05193 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL21805185 0.89 DGKA (0.46) DGKAP2RY10GPR34PLA2G2AENPP2
SCHEMBL17533548 0.81 DGKA (0.34) DGKAP2RY10GPR34ENPP2LPAR1
SCHEMBL18429952 0.81 DGKA (0.65) DGKAP2RY10GPR34PLA2G2ADNM1
SCHEMBL27894869 0.78 DGKA (0.61) DGKAPLA2G2ADNM1
SCHEMBL27872169 0.78 DGKA (0.65) DGKAPLA2G2ADNM1
SCHEMBL8815475 0.78 DGKA (0.65) DGKAPLA2G2ADNM1
Cetyl Palmitate SCHEMBL8815494 0.78 DGKA (0.65) DGKAPLA2G2ADNM1
SCHEMBL187111 0.78 DGKA (0.59) DGKAP2RY10PLA2G2ADNM1
SCHEMBL27872160 0.78 DGKA (0.65) DGKAPLA2G2ADNM1
SCHEMBL9637091 0.78 DGKA (0.65) DGKAPLA2G2ADNM1

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
EP-3853213-A1 SHIELDING AGENTS AND THEIR USE Endocyte, Inc. (US) 2021-07-28 EP disclosed
WO-2020061293-A1 SHIELDING AGENTS AND THEIR USE ENDOCYTE, INC. (US) 2020-03-26 WO disclosed