SCHEMBL5028670

SCHEMBL5028670

NC(=O)/C=C(\NCCOP(=O)(O)O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 4/20 0.40
LPAR1 Q92633 3/20 0.40
ENPP2 Q13822 1/20 0.40
LPAR3 Q9UBY5 5/20 0.32
PGD P52209 1/20 0.32
TPI1 P60174 2/20 0.32
S1PR2 O95136 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL5031194 0.91 ENPP2 (0.34) LPAR2LPAR1ENPP2
SCHEMBL5029484 0.88 LPAR3 (0.41) LPAR2LPAR1ENPP2LPAR3S1PR2
SCHEMBL4273613 0.71 LPAR2 (0.39) LPAR2LPAR1ENPP2LPAR3PGD
SCHEMBL3391589 0.71 MMP1 (0.38)
SCHEMBL3239278 0.70 LPAR2 (0.44) LPAR2LPAR1ENPP2LPAR3PGD
SCHEMBL31527704 0.69 LPAR2 (0.48) LPAR2LPAR1ENPP2LPAR3PGD
SCHEMBL17753845 0.69 LPAR1 (0.46) LPAR2LPAR1ENPP2LPAR3TPI1
SCHEMBL907318 0.68 ALDH1A1 (0.45) LPAR2LPAR1ENPP2LPAR3TPI1
SCHEMBL23294899 0.67 LPAR2 (0.49) LPAR2LPAR1ENPP2LPAR3TPI1
SCHEMBL17758486 0.67 LPAR2 (0.45) LPAR2LPAR1ENPP2LPAR3TPI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902310-B2 Use as additives for inorganic binding agent suspensions based on cement, lime, gypsum and anhydrite; improve processing and setting processes of building materials produced with these additives by making possible earlier and higher resistances to pressure CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2011-03-08 US disclosed
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
US-20080125520-A1 Copolymers Base on Phosphorous-Containing Monomers, Methods for the Production Thereof and Their Use CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2008-05-29 US 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