SCHEMBL20324604

SCHEMBL20324604

CC(N)CC[C@H](O)COP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 2/20 0.44
PGD P52209 3/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
LPAR6 P43657 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR4 Q99677 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
ENPP2 Q13822 1/20 0.41
MPI P34949 1/20 0.40
FDPS P14324 1/20 0.38
S1PR4 O95977 3/20 0.38
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR2 O95136 2/20 0.38
TSPO P30536 1/20 0.38

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
SCHEMBL19010230 0.79
SCHEMBL182785 0.79
SCHEMBL20326991 0.78 ENPP2 (0.44) LPAR5PGDALDH1A1TDP1PGK1
SCHEMBL1286423 0.76 PGK1 (0.58) LPAR5PGDPGK1PGK2LPAR6
SCHEMBL4152528 0.74 LPAR5 (0.62) LPAR5LPAR6LPAR1LPAR4LPAR2
SCHEMBL20324737 0.74 LPAR5 (0.36) LPAR5PGDPGK1PGK2LPAR6
SCHEMBL6045527 0.74 MPI (0.53) LPAR5PGDPGK1PGK2LPAR6
SCHEMBL28480885 0.73 LPAR5 (0.65) LPAR5LPAR6LPAR1LPAR4LPAR2
SCHEMBL12558548 0.73 LPAR5 (0.55) LPAR5PGDPGK1PGK2LPAR6
SCHEMBL5024727 0.73 PGD (0.50) LPAR5PGDPGK1PGK2LPAR6

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-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed
WO-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 WO disclosed