SCHEMBL29044797

SCHEMBL29044797

O=C(Oc1ccc(-c2ccc(O)cc2)cc1)Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.54
ESR1 P03372 4/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B1 P14061 1/20 0.46
ELANE P08246 2/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
XBP1 P17861 1/20 0.44
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL8059094 1.00 ESR2 (0.54) ESR2ESR1MEN1KMT2AHSD17B1
SCHEMBL5683906 0.93 MEN1 (0.52) ESR2ESR1MEN1KMT2AELANE
SCHEMBL21790491 0.92 MMP3 (0.54) ESR2ESR1MEN1KMT2AMAPT
SCHEMBL21790493 0.92 MMP3 (0.54) ESR2ESR1MEN1KMT2AMAPT
SCHEMBL7766958 0.87 ESR2 (0.57) ESR2ESR1MEN1KMT2AHSD17B1
SCHEMBL21790054 0.85 ESR2 (0.55) ESR2ESR1MEN1KMT2AHSD17B1
SCHEMBL26618768 0.85 ESR2 (0.55) ESR2ESR1MEN1KMT2AHSD17B1
SCHEMBL6058168 0.84 ESR2 (0.52) ESR2ESR1MEN1KMT2AHSD17B1
SCHEMBL10707250 0.84 LTA4H (0.60) ESR2ESR1MEN1KMT2AELANE
SCHEMBL6633777 0.82 CA12 (0.50) ESR2ESR1MEN1KMT2AHSD17B1

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-113234103-B Phosphazene flame retardant, preparation method and application thereof 青岛大学 2023-07-25 CN disclosed
CN-113234103-B Phosphazene flame retardant, preparation method and application thereof 青岛大学 2023-07-25 CN disclosed