SCHEMBL28895383

SCHEMBL28895383

O=C(O)c1ccccc1-c1ccc(F)c(F)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.47
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX12 P18054 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
GAA P10253 1/20 0.44
MYC P01106 1/20 0.43
ALB P02768 1/20 0.43
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ACMSD Q8TDX5 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
SCHEMBL6195511 0.87 NPC1 (0.50) FOLH1CYP2C9CYP3A4ALOX12NPC1
Hydrochloric Acid SCHEMBL3102975 0.86 NPC1 (0.49) FOLH1CYP2C9CYP3A4ALOX12NPC1
SCHEMBL8915221 0.81 FOLH1 (0.44) FOLH1CYP2C9RAB9ALMNAAKR1C3
SCHEMBL2342315 0.81 NPC1 (0.55) FOLH1CYP2C9CYP3A4ALOX12NPC1
SCHEMBL269331 0.79 NPC1 (0.60) FOLH1CYP2C9CYP3A4ALOX12NPC1
SCHEMBL36145 0.78 ALDH1A1 (0.72) FOLH1CYP2C9CYP3A4ALOX12ALDH1A1
SCHEMBL30028907 0.78 ALDH1A1 (0.72) FOLH1CYP2C9CYP3A4ALOX12ALDH1A1
SCHEMBL29059251 0.78 CYP2C9 (0.49) FOLH1CYP2C9CYP3A4ALOX12NPC1
SCHEMBL6761719 0.77 FOLH1 (0.53) FOLH1CYP2C9CYP3A4ALOX12ALDH1A1
SCHEMBL3308958 0.77 CES2 (0.52) ALDH1A1ALOX15ALBCA12CA1

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-114315678-B Aryl diperoxoic acid and preparation method and application thereof 哈尔滨工业大学(深圳) 2024-04-12 CN disclosed
CN-114315678-A Novel aryl diperoxy acid and preparation method and application thereof 哈尔滨工业大学(深圳) 2022-04-12 CN disclosed