SCHEMBL6236749

SCHEMBL6236749

C[N+](C)(C)CC(O)COP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 2/20 0.49
PGK1 P00558 1/20 0.48
PGK2 P07205 1/20 0.48
PGD P52209 3/20 0.45
MPI P34949 1/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR6 P43657 1/20 0.45
LPAR4 Q99677 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
LPAR3 Q9UBY5 1/20 0.45
ENPP2 Q13822 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
SLC22A16 Q86VW1 1/20 0.40
MAPT P10636 1/20 0.40

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
Ethylene Glycol SCHEMBL8891682 0.94 LPAR5 (0.45) LPAR5PGK1PGK2PGDMPI
Glycerin SCHEMBL8890733 0.92 SMN1; SMN2 (0.50) LPAR5PGK1PGK2PGDMPI
SCHEMBL6236747 0.84 SMN1; SMN2 (0.44) LPAR5PGK1PGK2LPAR1LPAR6
SCHEMBL1286423 0.83 PGK1 (0.58) LPAR5PGK1PGK2PGDMPI
SCHEMBL6236753 0.83 SMN1; SMN2 (0.49) LPAR5PGK1PGK2PGDMPI
SCHEMBL24706048 0.81 PGK1 (0.52) LPAR5PGK1PGK2PGDMPI
SCHEMBL12282272 0.81 PGK1 (0.52) LPAR5PGK1PGK2PGDMPI
SCHEMBL12282586 0.81 PGK1 (0.52) LPAR5PGK1PGK2PGDMPI
SCHEMBL12283192 0.81 PGK1 (0.52) LPAR5PGK1PGK2PGDMPI
SCHEMBL8882006 0.81 PSMD14 (0.47) LPAR5PGK1PGK2PGDMPI

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
EP-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP disclosed
US-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 US disclosed
US-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US disclosed
EP-0514588-B1 Novel phosphobetaine and detergent and cosmetic containing the same KAO CORP (JP) 1997-06-11 EP disclosed
US-5409705-A Phosphobetaine and detergent and cosmetic containing the same KAO CORPORATION (JP) 1995-04-25 US disclosed
EP-0514588-A2 Novel phosphobetaine and detergent and cosmetic containing the same Kao Corporation (JP) 1991-11-25 EP disclosed