SCHEMBL29968685

SCHEMBL29968685

COc1cccc(P(=O)(c2cccc(OC)c2)c2cccc(OC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CHRM5 P08912 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCRTR1 O43613 1/20 0.46
PARP1 P09874 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MGLL Q99685 1/20 0.44
ENPP2 Q13822 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
SCHEMBL8163505 1.00 ACHE (0.50) ACHECES2CES1CA1CA2
SCHEMBL7619840 0.94 LMNA (0.50) ACHECES2CES1LMNAL3MBTL1
SCHEMBL8994717 0.89 SMN1; SMN2 (0.51) ACHECES2CES1CA1CA2
SCHEMBL25030855 0.85 ACHE (0.48) ACHECES2CES1CA1CA2
SCHEMBL11101413 0.83 ACHE (0.47) ACHECES2CES1CA1CA2
SCHEMBL12230072 0.83 ACHE (0.47) ACHECES2CES1CA1CA2
SCHEMBL7821285 0.83 CES2 (0.50) ACHECES2CES1CA1CA2
SCHEMBL11234008 0.83 ACHE (0.47) ACHECES2CES1CA1CA2
SCHEMBL3040805 0.82 CES2 (0.48) ACHECES2CES1CA1CA2
SCHEMBL20622363 0.82 ACHE (0.45) ACHECES2CES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119101083-A Preparation method and application of cuprous halide-based fluorescent light-emitting material 华东师范大学 2024-12-10 CN claimed
CN-119101083-A Preparation method and application of cuprous halide-based fluorescent light-emitting material 华东师范大学 2024-12-10 CN disclosed
WO-2022244969-A1 METHOD FOR PREPARING METHYLENE LACTONE-BASED COMPOUND 주식회사 자경케미칼 2022-11-24 WO disclosed