SCHEMBL28066732

SCHEMBL28066732

CCCCCCOc1ccc(CP(=O)(O)OP(=O)(OCC)OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.50
S1PR3 Q99500 5/20 0.50
S1PR2 O95136 2/20 0.50
LPAR2 Q9HBW0 2/20 0.50
S1PR4 O95977 3/20 0.49
S1PR5 Q9H228 3/20 0.49
ENPP2 Q13822 1/20 0.47
NR5A1 Q13285 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 2/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8824568 0.93 S1PR1 (0.55) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL28066733 0.87 ENPP2 (0.63) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL8824589 0.81 ENPP2 (0.66) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL11306410 0.81 ENPP2 (0.66) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL11034010 0.81 ENPP2 (0.66) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL914815 0.79 NR1I2 (0.46) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL916688 0.79 ACACB (0.41) S1PR1S1PR3S1PR2LPAR2S1PR4
SCHEMBL914660 0.77 ENPP2 (0.60) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL915176 0.77 S1PR1 (0.54) S1PR1S1PR3S1PR2S1PR4S1PR5
SCHEMBL915282 0.77 S1PR1 (0.46) S1PR1S1PR3S1PR2LPAR2MEN1

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
CN-102511089-B Novel organic semi-conductor material and use its electronic device RICOH CO.,LTD. (JP) 2016-06-01 CN disclosed