Phosphocholine

Phosphocholine

SCHEMBL28007296

CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.C[N+](C)(C)CCOP(=O)(O)O

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.68
LPAR1 Q92633 5/20 0.61
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.58
FAAH O00519 1/20 0.58
HPGD P15428 1/20 0.58
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
FABP3 P05413 1/20 0.58
PRKCA P17252 2/20 0.58
PRKCE Q02156 1/20 0.58
PRKCQ Q04759 1/20 0.58
PRKCD Q05655 1/20 0.58
DAGLA Q9Y4D2 1/20 0.56
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR5A2 O00482 1/20 0.54
NR5A1 Q13285 1/20 0.54
ENPP2 Q13822 2/20 0.54
SLC6A5 Q9Y345 1/20 0.54

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
Diolein SCHEMBL16100175 0.93 PRKCA (0.71) S1PR1LPAR1FABP3PRKCAPRKCE
SCHEMBL26097992 0.89 FABP3 (0.72) S1PR1LPAR1ALDH1A1FABP3PRKCA
SCHEMBL28007295 0.89 FABP3 (0.72) S1PR1LPAR1ALDH1A1FABP3PRKCA
SCHEMBL26099952 0.89 FABP3 (0.72) S1PR1LPAR1ALDH1A1FABP3PRKCA
SCHEMBL26641894 0.89 FABP3 (0.72) S1PR1LPAR1ALDH1A1FABP3PRKCA
Phosphocholine SCHEMBL3713381 0.86 S1PR1 (0.53) S1PR1LPAR1ALDH1A1FABP3DAGLA
Phosphocholine SCHEMBL28832346 0.86 S1PR1 (0.53) S1PR1LPAR1ALDH1A1FABP3DAGLA
Phosphocholine SCHEMBL28083428 0.86 S1PR1 (0.53) S1PR1LPAR1ALDH1A1FABP3DAGLA
Phosphocholine SCHEMBL480378 0.86 FABP3 (0.74) LPAR1MAPTFABP3PRKCAPRKCE
1,2-Dipalmitin SCHEMBL1833548 0.86 FABP3 (0.74) LPAR1MAPTFABP3PRKCAPRKCE

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
CN-104364658-A Methods for diagnosing chronic valvular disease NESTEC SA 2015-02-18 CN claimed
CN-104364658-A Methods for diagnosing chronic valvular disease NESTEC SA 2015-02-18 CN disclosed