SCHEMBL538239

SCHEMBL538239

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)C(O)C(=O)CCCCCCCCCCCCCCC.CCOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.52
ALDH1A1 P00352 1/20 0.47
SELP P16109 1/20 0.47
S1PR1 P21453 1/20 0.46
P2RY10 O00398 4/20 0.46
GPR34 Q9UPC5 1/20 0.46
DAGLA Q9Y4D2 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
LPAR1 Q92633 1/20 0.43
SMN1; SMN2 Q16637 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 SCHEMBL3713381 0.92 S1PR1 (0.53) FABP3ALDH1A1SELPS1PR1DAGLA
Phosphocholine SCHEMBL5087547 0.88 ALDH1A1 (0.56) FABP3ALDH1A1SELPS1PR1DAGLA
Phosphocholine SCHEMBL6534600 0.87 ALDH1A1 (0.58) FABP3ALDH1A1SELPS1PR1SMN1; SMN2
SCHEMBL9053470 0.85 FABP3 (0.52) FABP3ALDH1A1SELPS1PR1P2RY10
Phosphocholine SCHEMBL1557025 0.84 SMN1; SMN2 (0.53) FABP3ALDH1A1LPAR1SMN1; SMN2
SCHEMBL776856 0.83 FABP3 (0.72) FABP3ALDH1A1SELPS1PR1P2RY10
SCHEMBL4964792 0.82 PRKCA (0.59) ALDH1A1S1PR1DAGLASLC6A5
SCHEMBL6252306 0.82 PRKCA (0.59) ALDH1A1S1PR1DAGLASLC6A5
SCHEMBL9055293 0.82 PRKCA (0.59) ALDH1A1S1PR1DAGLASLC6A5
SCHEMBL1666730 0.82 PRKCA (0.59) ALDH1A1S1PR1DAGLASLC6A5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2413951-A2 FORMULATION FOR INDUCING BROADLY REACTIVE NEUTRALIZING ANTI-HIV ANTIBODIES Duke University (US) 2012-02-08 EP disclosed
EP-2413905-A2 FORMULATION Duke University (US) 2012-02-08 EP disclosed
WO-2010114628-A9 FORMULATION FOR INDUCING BROADLY REACTIVE NEUTRALIZING ANTI-HIV ANTIBODIES DUKE UNIVERSITY (US) 2010-11-25 WO disclosed
WO-2010114629-A2 FORMULATION DUKE UNIVERSITY (US) 2010-10-07 WO disclosed
WO-2010114628-A2 FORMULATION FOR INDUCING BROADLY REACTIVE NEUTRALIZING ANTI-HIV ANTIBODIES DUKE UNIVERSITY (US) 2010-10-07 WO disclosed