SCHEMBL4949000

SCHEMBL4949000

C[C@H](O)C(=O)NCCOP(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LPAR1 Q92633 3/20 0.42
LPAR2 Q9HBW0 3/20 0.42
ENPP2 Q13822 1/20 0.42
S1PR1 P21453 6/20 0.42
S1PR3 Q99500 6/20 0.42
S1PR2 O95136 5/20 0.42
S1PR5 Q9H228 4/20 0.42
PGD P52209 1/20 0.40
LPAR3 Q9UBY5 5/20 0.38
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1399083 1.00 MEN1 (0.61) MEN1KMT2ALPAR1LPAR2ENPP2
SCHEMBL13199295 0.82 LPAR1 (0.43) MEN1KMT2ALPAR1LPAR2ENPP2
SCHEMBL13924989 0.81 LPAR1 (0.40) MEN1KMT2ALPAR1LPAR2ENPP2
SCHEMBL13903932 0.81 LPAR1 (0.40) MEN1KMT2ALPAR1LPAR2ENPP2
SCHEMBL17327606 0.80 MEN1 (0.70) MEN1KMT2AUSP2TSHR
SCHEMBL13985616 0.80 LPAR1 (0.42) MEN1KMT2ALPAR1LPAR2ENPP2
SCHEMBL15705547 0.77 PTGS1 (0.58) LPAR1LPAR2ENPP2S1PR1S1PR3
SCHEMBL17753845 0.76 LPAR1 (0.46) LPAR1LPAR2ENPP2LPAR3USP2
SCHEMBL13446146 0.75 S1PR1 (0.40) MEN1KMT2ALPAR1LPAR2ENPP2
SCHEMBL8533026 0.75 KMT2A (0.67) MEN1KMT2AUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054528-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed