SCHEMBL28066734

SCHEMBL28066734

CCCCCCOc1ccc(CP(=O)(O)O)cc1.CCO[PH](=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.54
S1PR1 P21453 7/20 0.53
S1PR3 Q99500 6/20 0.53
S1PR2 O95136 3/20 0.53
LPAR2 Q9HBW0 2/20 0.53
S1PR4 O95977 4/20 0.50
S1PR5 Q9H228 4/20 0.50
NR5A1 Q13285 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 2/20 0.45
DGAT2 Q96PD7 1/20 0.45
GGPS1 O95749 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
SCHEMBL11306410 0.89 ENPP2 (0.66) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL8824589 0.89 ENPP2 (0.66) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL11034010 0.89 ENPP2 (0.66) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL28066735 0.85 ENPP2 (0.75) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL28066845 0.80 FDPS (0.49) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL8824568 0.80 S1PR1 (0.55) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL28066737 0.78 ENPP2 (0.45) ENPP2TSHRDGAT2
SCHEMBL16301967 0.75 NQO1 (0.54) ENPP2TSHR
SCHEMBL28066732 0.74 S1PR1 (0.50) ENPP2S1PR1S1PR3S1PR2LPAR2
SCHEMBL641483 0.74 SMN1; SMN2 (0.57) ENPP2S1PR1S1PR3S1PR2LPAR2

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