SCHEMBL5032838

SCHEMBL5032838

NCCOCCOP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.40
LPAR2 Q9HBW0 6/20 0.40
LPAR1 Q92633 4/20 0.40
TPI1 P60174 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ITPR3 Q14573 1/20 0.33
ITPR1 Q14643 1/20 0.33
PGD P52209 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32

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
SCHEMBL12645235 1.00 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1CYP3A4
SCHEMBL20746730 1.00 LPAR3 (0.40) LPAR3LPAR2LPAR1TPI1CYP3A4
SCHEMBL8904061 0.87 LPAR3 (0.48) LPAR3LPAR2LPAR1TPI1CYP3A4
SCHEMBL20580710 0.87 LPAR3 (0.48) LPAR3LPAR2LPAR1TPI1CYP3A4
SCHEMBL20193278 0.87 LPAR3 (0.48) LPAR3LPAR2LPAR1TPI1CYP3A4
Phosphorylethanolamine SCHEMBL31158295 0.85
Phosphorylethanolamine SCHEMBL20798002 0.85 LPAR3 (0.46) LPAR3LPAR2LPAR1TPI1CYP3A4
Phosphorylethanolamine SCHEMBL44347 0.85
SCHEMBL6707237 0.84 CYP3A4 (0.34) CYP3A4TSHRALDH1A1GABBR2GABBR1
SCHEMBL12933070 0.83 LPAR3 (0.41) LPAR3LPAR2LPAR1TPI1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883662-B1 COPOLYMERS BASE ON PHOSPHOROUS-CONTAINING MONOMERS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE CONSTR RES & TECH GMBH (DE) 2008-11-05 EP disclosed
EP-1883662-A1 COPOLYMERS BASE ON PHOSPHOROUS-CONTAINING MONOMERS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE Construction Research and Technology GmbH (DE) 2008-02-06 EP disclosed
WO-2006122793-A1 COPOLYMERS BASE ON PHOSPHOROUS-CONTAINING MONOMERS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2006-11-23 WO disclosed