SCHEMBL29110079

SCHEMBL29110079

Fc1ccc(/C=C/CBr)cc1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 3/20 0.40
▸ TTR P02766 1/20 0.39
▸ HRH1 P35367 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL29110082 1.00 EPOR (0.40) EPORTTRHRH1ALDH1A1MAPT
SCHEMBL9804304 0.85 ALDH1A1 (0.42) EPORTTRHRH1ALDH1A1MAPT
SCHEMBL9496431 0.85 TTR (0.39) EPORTTRHRH1ALDH1A1MAPT
SCHEMBL9496444 0.85 TTR (0.39) EPORTTRHRH1ALDH1A1MAPT
SCHEMBL29110085 0.80 ALDH1A1 (0.50) TTRALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL10489449 0.80 ALDH1A1 (0.50) TTRALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL10489447 0.80 ALDH1A1 (0.50) TTRALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL30620008 0.80 ALDH1A1 (0.50) TTRALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL10446491 0.80 TTR (0.38) EPORTTRHRH1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9493793 0.80 TTR (0.35) EPORTTRHRH1ALDH1A1MAPT

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-111943900-B Isoxazoline derivatives and their use in agriculture 宁夏苏融达化工有限公司 2023-11-17 — — CN disclosed
CN-111943900-A Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2020-11-17 — — CN disclosed
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