SCHEMBL7512017

SCHEMBL7512017

CCCCCCCCC(C)CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC(C)CCCCCCCC

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.88
NR5A2 O00482 1/20 0.88
NR5A1 Q13285 1/20 0.88
MAPT P10636 2/20 0.78
FABP3 P05413 1/20 0.70
RECQL P46063 1/20 0.69
ALDH1A1 P00352 1/20 0.61
ADRA1D P25100 1/20 0.59
PTAFR P25105 1/20 0.59
HTR1D P28221 1/20 0.59
HTR2C P28335 1/20 0.59
ADRA1B P35368 1/20 0.59
DRD3 P35462 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
LPAR3 Q9UBY5 3/20 0.56
LPAR1 Q92633 2/20 0.56
ENPP2 Q13822 1/20 0.56
PLA2G1B P04054 1/20 0.55
PLA2G2A P14555 1/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL2033464 1.00 SMN1; SMN2 (0.88) SMN1; SMN2NR5A2NR5A1MAPTFABP3
SCHEMBL7513216 1.00 SMN1; SMN2 (0.88) SMN1; SMN2NR5A2NR5A1MAPTFABP3
SCHEMBL2030912 1.00 SMN1; SMN2 (0.88) SMN1; SMN2NR5A2NR5A1MAPTFABP3
SCHEMBL31294943 0.94 SMN1; SMN2 (0.92) SMN1; SMN2NR5A2NR5A1MAPTFABP3
SCHEMBL31294950 0.94 SMN1; SMN2 (0.92) SMN1; SMN2NR5A2NR5A1MAPTFABP3
SCHEMBL31294994 0.94 SMN1; SMN2 (0.92) SMN1; SMN2NR5A2NR5A1MAPTFABP3
SCHEMBL31294976 0.94 SMN1; SMN2 (0.92) SMN1; SMN2NR5A2NR5A1MAPTFABP3
SCHEMBL31294982 0.94 SMN1; SMN2 (0.92) SMN1; SMN2NR5A2NR5A1MAPTFABP3
SCHEMBL31294958 0.94 SMN1; SMN2 (0.92) SMN1; SMN2NR5A2NR5A1MAPTFABP3
SCHEMBL31295038 0.94 SMN1; SMN2 (0.92) SMN1; SMN2NR5A2NR5A1MAPTFABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730860-B1 Mixed micelles HOFFMANN LA ROCHE (CH) 2002-01-02 EP claimed
US-5747066-A PHOSPHATIDES, BILE ACID SALT OR DIHEXANOYLLECITHIN HOFFMANN-LA ROCHE INC. (US) 1998-05-05 US claimed
EP-0730860-A2 Mixed micelles F. HOFFMANN-LA ROCHE AG (CH) 1996-09-11 EP claimed
EP-0730860-B1 Mixed micelles HOFFMANN LA ROCHE (CH) 2002-01-02 EP disclosed
WO-2001044194-A2 PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2001-06-21 WO disclosed
US-5747066-A PHOSPHATIDES, BILE ACID SALT OR DIHEXANOYLLECITHIN HOFFMANN-LA ROCHE INC. (US) 1998-05-05 US disclosed
EP-0730860-A2 Mixed micelles F. HOFFMANN-LA ROCHE AG (CH) 1996-09-11 EP disclosed