SCHEMBL28801049

SCHEMBL28801049

COc1ccc(C(c2ccccc2)c2ccc(OC)cc2)cc1.F[B-](F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
ACP3 P15309 1/20 0.53
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
NR3C2 P08235 1/20 0.51
AR P10275 1/20 0.51
CA4 P22748 1/20 0.50
ALDH1A1 P00352 5/20 0.49
LTA4H P09960 2/20 0.48
PBRM1 Q86U86 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 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
SCHEMBL14205685 0.92 SLC2A1 (0.61) SLC2A1ACP3NR3C1PGRNR3C2
SCHEMBL13295535 0.92 SLC2A1 (0.61) SLC2A1ACP3NR3C1PGRNR3C2
SCHEMBL40557 0.92 SLC2A1 (0.61) SLC2A1ACP3NR3C1PGRNR3C2
SCHEMBL13295540 0.92 SLC2A1 (0.61) SLC2A1ACP3NR3C1PGRNR3C2
SCHEMBL13295537 0.92 SLC2A1 (0.61) SLC2A1ACP3NR3C1PGRNR3C2
SCHEMBL34971 0.92 SLC2A1 (0.61) SLC2A1ACP3NR3C1PGRNR3C2
Hydrochloric Acid SCHEMBL28430528 0.90 SLC2A1 (0.59) SLC2A1ACP3NR3C1PGRNR3C2
Hydrochloric Acid SCHEMBL10530921 0.90 SLC2A1 (0.59) SLC2A1ACP3NR3C1PGRNR3C2
SCHEMBL16203305 0.84 ACHE (0.60) SLC2A1ACP3NR3C1PGRNR3C2
SCHEMBL16859725 0.82 SLC2A1 (0.71) SLC2A1ACP3NR3C1PGRNR3C2

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-114848665-B Application of CD71-CD44-GEMs in preparation of medicines for treating bladder cancer 中南大学湘雅三医院 2023-09-12 CN disclosed
CN-114848665-A Application of CD71-CD44-GEMs in preparation of medicines for treating bladder cancer 中南大学湘雅三医院 2022-08-05 CN disclosed