SCHEMBL28295682

SCHEMBL28295682

O=P(O)(O)Oc1cc2ccccc2c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.67
INPPL1 O15357 9/20 0.48
INPP5A Q14642 5/20 0.48
INPP5B P32019 2/20 0.48
SRC P12931 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
PDE3A Q14432 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKT1 P31749 1/20 0.44
TRPM4 Q8TD43 1/20 0.44
PTK2B Q14289 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL9438223 0.82 NQO2 (0.48) GPR84INPPL1INPP5AINPP5BSRC
SCHEMBL2472730 0.82 INPPL1 (0.52) GPR84INPPL1INPP5AINPP5BSRC
SCHEMBL9754375 0.82 GPR84 (0.58) GPR84SRCKDM4EALDH1A1HPGD
SCHEMBL30510695 0.80 INPPL1 (0.46) GPR84INPPL1INPP5AINPP5BSRC
SCHEMBL21585515 0.78 GPR84 (0.43) GPR84INPPL1INPP5AINPP5BSRC
SCHEMBL29618036 0.77 INPPL1 (0.59) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL27610136 0.77 GPR84 (0.65) GPR84INPPL1INPP5AINPP5BSRC
SCHEMBL60472 0.77 INPPL1 (0.59) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL3791045 0.76 INPPL1 (0.53) GPR84INPPL1INPP5AINPP5BSRC
SCHEMBL7430843 0.76 GPR84 (0.41) GPR84INPPL1INPP5AINPP5BSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107082788-B The synthetic method that one kind is efficiently esterified with imines catalysis P (O)-OH class compound and alcohol 湖南理工学院 2019-05-28 CN disclosed
CN-106749396-A A kind of method to prepare organophosphorus ester compound containing P (O) OH classes compound and the efficient esterification of alcohol 湖南理工学院 2017-05-31 CN disclosed