SCHEMBL9115280

SCHEMBL9115280

C=CC(N)COP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.44
PGD P52209 3/20 0.42
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
BLM P54132 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 4/20 0.37
S1PR5 Q9H228 3/20 0.37
S1PR2 O95136 3/20 0.37

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
SCHEMBL8737107 0.80 MPI (0.55) MPIPGDPGK1PGK2S1PR1
SCHEMBL8737534 0.80 MPI (0.55) MPIPGDPGK1PGK2S1PR1
SCHEMBL8736991 0.80 MPI (0.55) MPIPGDPGK1PGK2S1PR1
SCHEMBL15752031 0.77 MPI (0.47) MPIPGDPGK1PGK2LPAR2
SCHEMBL27775741 0.75 MPI (0.41) MPIPGDPGK1PGK2LPAR2
Phosphoric Acid SCHEMBL9116729 0.75 SLC6A2 (0.41) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL15841555 0.74
SCHEMBL9937657 0.74 MPI (0.49) MPIPGDPGK1PGK2LPAR2
SCHEMBL182785 0.70
SCHEMBL19010230 0.70

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
WO-1995021848-A1 SPHINGOID BASES AND METHODS FOR THEIR PREPARATION AND USE THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) 1995-08-17 WO disclosed
US-5430169-A Method for preparation of sphingoid bases THE UNITED STATES OF AMERICA REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-07-04 US disclosed