SCHEMBL25634733

SCHEMBL25634733

O=C(I)C(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.57
▸ FFAR1 O14842 2/20 0.57
▸ PLAAT5 Q96KN8 5/20 0.56
▸ PLAAT4 Q9UL19 5/20 0.56
▸ MAPT P10636 3/20 0.55
▸ HTT P42858 1/20 0.55
▸ HDAC2 Q92769 3/20 0.53
▸ HDAC8 Q9BY41 3/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ HDAC1 Q13547 3/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC7 Q8WUI4 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC9 Q9UKV0 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL4279627 0.86 KEAP1 (0.73) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL29078123 0.82 KEAP1 (0.67) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL12174587 0.82 KEAP1 (0.67) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL258545 0.82 KEAP1 (0.67) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL10352043 0.80 KEAP1 (0.64) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL13035854 0.78 KEAP1 (0.61) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL6629478 0.78 CES2 (0.74) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL660787 0.78 KEAP1 (0.61) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL11141595 0.78 KEAP1 (0.61) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4
SCHEMBL5566614 0.78 HDAC1 (0.69) KEAP1ALDH1A1FFAR1PLAAT5PLAAT4

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
US-20230150254-A1 ON-PRESS DEVELOPMENT TYPE LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2023-05-18 — — US disclosed
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