Sugi Predict

Sugi Predict / Compounds / Phosphocholine

Phosphocholine

Phosphocholine

SCHEMBL3960127

CCCCCCCCCCCCCCCC(=O)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H](O)CO.C[N+](C)(C)CCOP(=O)([O-])O

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NR5A2 O00482 1/20 0.53
▸ NR5A1 Q13285 1/20 0.53
▸ FABP3 P05413 1/20 0.51
▸ RECQL P46063 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ LPAR6 P43657 1/20 0.45
▸ LPAR1 Q92633 1/20 0.45
▸ LPAR4 Q99677 1/20 0.45
▸ LPAR5 Q9H1C0 1/20 0.45
▸ LPAR2 Q9HBW0 1/20 0.45
▸ LPAR3 Q9UBY5 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ ADRA1A P35348 1/20 0.43

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 SCHEMBL3954612 0.94 ALDH1A1 (0.52) SMN1; SMN2NR5A2NR5A1FABP3RECQL
Phosphocholine SCHEMBL3958479 0.94 ALDH1A1 (0.52) SMN1; SMN2NR5A2NR5A1FABP3RECQL
Phosphocholine SCHEMBL2306424 0.93 SMN1; SMN2 (0.49) SMN1; SMN2NR5A2NR5A1FABP3RECQL
Phosphocholine SCHEMBL28083493 0.92 FABP3 (0.53) SMN1; SMN2NR5A2NR5A1FABP3RECQL
Phosphocholine SCHEMBL28779269 0.92 FABP3 (0.53) SMN1; SMN2NR5A2NR5A1FABP3RECQL
Phosphocholine SCHEMBL8790092 0.92 FABP3 (0.53) SMN1; SMN2NR5A2NR5A1FABP3RECQL
Phosphocholine SCHEMBL27650430 0.92 FABP3 (0.53) SMN1; SMN2NR5A2NR5A1FABP3RECQL
Phosphocholine SCHEMBL28083428 0.86 S1PR1 (0.53) SMN1; SMN2NR5A2NR5A1FABP3LPAR6
Phosphocholine SCHEMBL1557025 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NR5A2NR5A1FABP3RECQL
SCHEMBL15566127 0.84 LMNA (0.54) SMN1; SMN2NR5A2NR5A1RECQLMAPT

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-2009129387-A2 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 — — WO claimed
WO-2009129385-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 — — WO disclosed