SCHEMBL29502845

SCHEMBL29502845

Nc1cc(OCc2ccccc2)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.58
MAOA P21397 3/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALOX5 P09917 1/20 0.56
LCK P06239 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP3A4 P08684 1/20 0.49
CTSV O60911 1/20 0.48

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
SCHEMBL13577224 1.00 MAOB (0.58) MAOBMAOAGAAMAPTRAB9A
SCHEMBL519206 0.86 MAOB (0.58) MAOBMAOAGAAMAPTRAB9A
Hydrochloric Acid SCHEMBL4716320 0.85 MAOB (0.56) MAOBMAOAGAAMAPTRAB9A
SCHEMBL30040891 0.84 MAOB (0.63) MAOBMAOAGAAMAPTRAB9A
SCHEMBL15817 0.84 ALOX5 (0.61) MAOBMAOAGAAMAPTRAB9A
SCHEMBL4473165 0.84 MAOB (0.63) MAOBMAOAGAAMAPTRAB9A
SCHEMBL13577241 0.83 MAOB (0.50) MAOB
SCHEMBL13577242 0.83 MAOB (0.50) MAOB
Hydrochloric Acid SCHEMBL9124176 0.82 MAOB (0.61) MAOBMAOAGAAMAPTRAB9A
SCHEMBL13577232 0.81 IDO1 (0.44) MAOBMAOA

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-119241370-A Multifunctional additive, solid electrolyte, preparation method and application thereof 武汉理工大学 2025-01-03 CN disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed