Phosphocholine

Phosphocholine

SCHEMBL2306424

CCCCCCCCCCCCCCCCCC(=O)O[C@H](C(=O)CCCC=O)[C@@H](O)CO.C[N+](C)(C)CCOP(=O)([O-])O

nearest known ligand 0.49

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
NR5A2 O00482 1/20 0.49
NR5A1 Q13285 1/20 0.49
FABP3 P05413 1/20 0.48
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.46
LPAR6 P43657 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR4 Q99677 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
MEN1 O00255 1/20 0.40
S1PR1 P21453 1/20 0.40
KMT2A Q03164 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
Phosphocholine SCHEMBL3960127 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1
Phosphocholine SCHEMBL3954612 0.92 ALDH1A1 (0.52) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1
Phosphocholine SCHEMBL3958479 0.92 ALDH1A1 (0.52) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1
Phosphocholine SCHEMBL27650430 0.85 FABP3 (0.53) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1
Phosphocholine SCHEMBL28083493 0.85 FABP3 (0.53) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1
Phosphocholine SCHEMBL8790092 0.85 FABP3 (0.53) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1
Phosphocholine SCHEMBL28083428 0.84 S1PR1 (0.53) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1
SCHEMBL993163 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1
SCHEMBL3525643 0.81 SMN1; SMN2 (0.55) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1
Phosphocholine SCHEMBL1557025 0.80 SMN1; SMN2 (0.53) SMN1; SMN2NR5A2NR5A1FABP3ALDH1A1

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
EP-2350662-A1 COMBINATION OF SPLA2 ACTIVITY AND OXPL/APOB CARDIOVASCULAR RISK FACTORS FOR THE DIAGNOSIS/PROGNOSIS OF A CARDIOVASCULAR DISEASE/EVENT INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2011-08-03 EP disclosed
WO-2010037860-A1 COMBINATION OF SPLA2 ACTIVITY AND OXPL/APOB CARDIOVASCULAR RISK FACTORS FOR THE DIAGNOSIS/PROGNOSIS OF A CARDIOVASCULAR DISEASE/EVENT. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-04-08 WO disclosed