SCHEMBL5255308

SCHEMBL5255308

C[N+](C)(C)CC(CCC(O)O)OP(=O)([O-])O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.34
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
SLC22A16 Q86VW1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL14739090 0.84 MEN1 (0.35) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1692410 0.84 MEN1 (0.37) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL14739986 0.83 GABBR2 (0.36) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL192296 0.80 MEN1 (0.39) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL8160112 0.80 SMPD1 (0.45) MEN1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL60425 0.79 SMPD1 (0.47) MEN1KMT2ACYP2C19LMNA
SCHEMBL632448 0.79 SMPD1 (0.47) MEN1KMT2ACYP2C19LMNA
SCHEMBL418811 0.79 SMPD1 (0.47) MEN1KMT2ACYP2C19LMNA
SCHEMBL62053 0.79 SMPD1 (0.47) MEN1KMT2ACYP2C19LMNA
SCHEMBL2693658 0.79 SMPD1 (0.47) MEN1KMT2ACYP2C19LMNA

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
WO-2007013894-A9 PHOSPHOLIPID ETHER ANALOGS FOR DETECTING AND TREATING CANCER CELLECTAR LLC (US) 2007-03-29 WO claimed
EP-1833514-A2 PHOSPHOLIPID ETHER ANALOGS FOR DETECTING AND TREATING CANCER CELLECTAR, LLC (US) 2007-09-19 EP disclosed
WO-2007013894-A2 PHOSPHOLIPID ETHER ANALOGS FOR DETECTING AND TREATING CANCER CELLECTAR, LLC (US) 2007-02-01 WO disclosed