SCHEMBL28857296

SCHEMBL28857296

O=C(O)c1cc(F)cc2c(O)cc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
THRB P10828 2/20 0.41
HCAR1 Q9BXC0 1/20 0.41
LCK P06239 1/20 0.39
ALDH1A1 P00352 6/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
KDM4E B2RXH2 5/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
HPGD P15428 3/20 0.38
HMGB1 P09429 2/20 0.38
MEN1 O00255 2/20 0.38
ALB P02768 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PTGS2 P35354 2/20 0.38

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
SCHEMBL29771961 1.00 KEAP1 (0.42) KEAP1THRBHCAR1LCKALDH1A1
SCHEMBL15524252 0.78 AKR1C2 (0.48) KEAP1THRBHCAR1ALDH1A1CA1
SCHEMBL18186580 0.75 HSD17B1 (0.46) KEAP1HCAR1ALDH1A1CA1CA2
SCHEMBL14939042 0.71 KEAP1 (0.43) KEAP1THRBLCKALDH1A1CA1
SCHEMBL22486034 0.70 CA1 (0.50) HCAR1ALDH1A1CA1CA2KDM4E
SCHEMBL28313168 0.70 KEAP1 (0.50) KEAP1HCAR1ALDH1A1CA1CA2
SCHEMBL130520 0.70 ACMSD (0.66) KEAP1THRBLCKALDH1A1CA1
SCHEMBL29759451 0.70 ACMSD (0.66) KEAP1THRBLCKALDH1A1CA1
SCHEMBL2791251 0.70 AKR1C2 (0.58) KEAP1THRBHCAR1ALDH1A1CA1
SCHEMBL29695966 0.70 AKR1C2 (0.58) KEAP1THRBHCAR1ALDH1A1CA1

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-114853992-B Soluble low dielectric constant low dielectric loss flame-retardant wholly aromatic copolyester and preparation method and application thereof 四川大学 2024-04-26 CN disclosed
CN-114853992-A Soluble low-dielectric-constant low-dielectric-loss flame-retardant full-aromatic copolyester and preparation method and application thereof 四川大学 2022-08-05 CN disclosed