SCHEMBL28625619

SCHEMBL28625619

CCOc1cccc(I)c1OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ L3MBTL1 Q9Y468 6/20 0.41
▸ MAPT P10636 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ BPTF Q12830 1/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39

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
SCHEMBL2068454 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL9597710 0.81 NQO1 (0.37) ALDH1A1L3MBTL1BPTFTSHRTDP1
Potassium Ion SCHEMBL28222970 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL31498830 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL1589483 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPTNPSR1GLA
Methyl Alcohol SCHEMBL28171303 0.80 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL30350708 0.80 CHRM2 (0.49) ALDH1A1L3MBTL1MAPTHTR1AADRA1D
SCHEMBL19510572 0.80 CHRM2 (0.49) ALDH1A1L3MBTL1MAPTHTR1AADRA1D
SCHEMBL20509838 0.79 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL16950837 0.79 SCN4A (0.41) ALDH1A1MAPTGLALMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372550-B Aryl ethers and their use 佩洛通治疗公司 2021-08-24 — — CN disclosed
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