SCHEMBL28066845

SCHEMBL28066845

CC(C)CCCC(C)CCOc1ccc(CP(=O)(O)O)cc1.CCO[PH](=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.49
ALOX5 P09917 1/20 0.44
GGPS1 O95749 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.37
RARB P10826 1/20 0.36
EPHX2 P34913 1/20 0.36
S1PR1 P21453 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
S1PR5 Q9H228 1/20 0.35
TP53 P04637 1/20 0.35
ENPP2 Q13822 1/20 0.35
LPAR3 Q9UBY5 2/20 0.35
HPGD P15428 1/20 0.35
S1PR2 O95136 2/20 0.35
S1PR3 Q99500 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL27874705 0.90 FDPS (0.58) FDPSALOX5GGPS1TDP1MAPK1
SCHEMBL28066734 0.80 ENPP2 (0.54) GGPS1S1PR1S1PR5TP53ENPP2
SCHEMBL13959557 0.74 ALOX5 (0.51) FDPSALOX5GGPS1TDP1MAPK1
SCHEMBL16340342 0.74 TDP1 (0.58) FDPSALOX5GGPS1TDP1MAPK1
SCHEMBL6857008 0.74 TDP1 (0.58) FDPSALOX5GGPS1TDP1MAPK1
SCHEMBL19549566 0.73 ALOX5 (0.53) FDPSALOX5GGPS1TDP1MAPK1
SCHEMBL19549628 0.73 ALOX5 (0.53) FDPSALOX5GGPS1TDP1MAPK1
SCHEMBL22282481 0.73 ALOX5 (0.53) FDPSALOX5GGPS1TDP1MAPK1
SCHEMBL95533 0.73 ALOX5 (0.53) FDPSALOX5GGPS1TDP1MAPK1
SCHEMBL28066737 0.71 ENPP2 (0.45) ENPP2NPC1LMNARAB9A

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