SCHEMBL3861371

SCHEMBL3861371

CCCCCCCC/C=C\CCCCCCCC(=O)C(O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.61
NR5A2 O00482 1/20 0.61
NR5A1 Q13285 1/20 0.61
MEN1 O00255 1/20 0.57
S1PR1 P21453 1/20 0.57
KMT2A Q03164 1/20 0.57
RECQL P46063 1/20 0.57
MAPT P10636 1/20 0.56
PLA2G1B P04054 1/20 0.51
PLA2G2A P14555 1/20 0.51
SMPD1 P17405 1/20 0.51
ADRA1D P25100 1/20 0.50
PTAFR P25105 1/20 0.50
HTR1D P28221 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
PLA2G10 O15496 1/20 0.49

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
SCHEMBL3867322 1.00 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NR5A2NR5A1MEN1
SCHEMBL6027169 0.97 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2NR5A2NR5A1MEN1
SCHEMBL17065552 0.94 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2NR5A2NR5A1MEN1
SCHEMBL825278 0.94 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2NR5A2NR5A1MEN1
SCHEMBL6912576 0.93 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2NR5A2NR5A1MEN1
SCHEMBL10693602 0.85 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2NR5A2NR5A1MEN1
Phosphocholine SCHEMBL3713381 0.84 S1PR1 (0.53) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
Phosphocholine SCHEMBL5087547 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NR5A2NR5A1MEN1
SCHEMBL3406019 0.83 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1MEN1
SCHEMBL3410573 0.83 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478341-A4 EFFICIENT NUCLEIC ACID ENCAPSULATION INTO MEDIUM SIZED LIPOSOMES TRANSAVE INC (US) 2009-05-20 EP disclosed
EP-1478341-A1 EFFICIENT NUCLEIC ACID ENCAPSULATION INTO MEDIUM SIZED LIPOSOMES Elan Pharmaceuticals, Inc. (US) 2004-11-24 EP disclosed
WO-2003059322-A1 EFFICIENT NUCLEIC ACID ENCAPSULATION INTO MEDIUM SIZED LIPOSOMES ELAN PHARMACEUTICALS, INC. (US) 2003-07-24 WO disclosed