SCHEMBL28547996

SCHEMBL28547996

O=P(O)(O)OC(Cc1ccccc1)c1ccccc1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 7/20 0.54
LAP3 P28838 5/20 0.47
ANPEP P15144 2/20 0.47
CYP2D6 P10635 1/20 0.42
PIN1 Q13526 3/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
SRC P12931 1/20 0.41

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
SCHEMBL445039 0.98 ACP3 (0.56) ACP3LAP3ANPEPCYP2D6PIN1
SCHEMBL28746406 0.88 ACP3 (0.56) ACP3LAP3ANPEPCYP2D6EPHX1
SCHEMBL4641415 0.83 ACP3 (0.51) ACP3LAP3ANPEPCYP2D6EPHX1
SCHEMBL5032697 0.82 ACP3 (0.50) ACP3LAP3ANPEPCYP2D6EPHX1
SCHEMBL11541664 0.81 ACP3 (0.49) ACP3LAP3ANPEPCYP2D6PIN1
SCHEMBL2980169 0.80 POLB (0.49) ACP3LAP3ANPEPTSHR
SCHEMBL759322 0.79 POLB (0.46) ACP3TSHRSRC
SCHEMBL28980053 0.79 POLB (0.46) ACP3TSHRSRC
SCHEMBL28370463 0.79 SRC (0.44) ACP3CYP2D6SRC
SCHEMBL29025201 0.79 SRC (0.44) ACP3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480165-A A crystal form of polysubstituted diphenylethane phosphate sodium salt EBTP and preparation method thereof 上海应用技术大学 2021-03-12 CN claimed
CN-112480165-A A crystal form of polysubstituted diphenylethane phosphate sodium salt EBTP and preparation method thereof 上海应用技术大学 2021-03-12 CN disclosed
CN-112480165-A A crystal form of polysubstituted diphenylethane phosphate sodium salt EBTP and preparation method thereof 上海应用技术大学 2021-03-12 CN disclosed
CN-112480165-A A crystal form of polysubstituted diphenylethane phosphate sodium salt EBTP and preparation method thereof 上海应用技术大学 2021-03-12 CN disclosed