SCHEMBL9280697

SCHEMBL9280697

C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.O=P(O)(O)OC[C@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGD P52209 3/20 0.38
LPAR5 Q9H1C0 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ANPEP P15144 2/20 0.37
ERAP2 Q6P179 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
MMP2 P08253 4/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MMP1 P03956 2/20 0.35
MMP8 P22894 1/20 0.35
MMP3 P08254 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8053083 1.00 PGD (0.38) PGDLPAR5ALDH1A1HSD17B10ANPEP
Glycerin SCHEMBL6518227 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10ANPEPERAP2KDM4E
SCHEMBL14278848 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL7340 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL213379 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL7341 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL14278847 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL6655023 0.79 PGK1 (0.52) PGDLPAR5ALDH1A1PGK1PGK2
SCHEMBL468639 0.77 PGK1 (0.50) PGDLPAR5PGK1PGK2MPI
Water SCHEMBL11070947 0.77 PGK1 (0.50) PGDLPAR5PGK1PGK2MPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473435-B1 Mono-N,N-dimethyl-4-aminopyridinium sn-glycerol-3-phosphate, production and use thereof in preparation of phosphatidic acids GENZYME CORP (US) 1995-07-19 EP disclosed
US-5166351-A Mono-N,N-dimethyl-4-aminopyridinium sn-glycerol-3-phosphate derivatives GENZYME CORPORATION (US) 1992-11-24 US disclosed
US-5162535-A Mono-N,N-dimethyl-4 aminopyridinium sn-glycerol-3-phosphate, its production and use in preparation of phosphatidic acids GENZYME CORPORATION (US) 1992-11-10 US disclosed
EP-0473435-A1 Mono-N,N-dimethyl-4-aminopyridinium sn-glycerol-3-phosphate, production and use thereof in preparation of phosphatidic acids GENZYME CORPORATION (US) 1992-03-04 EP disclosed