SCHEMBL29270416

SCHEMBL29270416

O=C(CCl)C(=O)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAAT5 Q96KN8 10/20 0.59
▸ PLAAT4 Q9UL19 10/20 0.59
▸ KEAP1 Q14145 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.55
▸ FFAR1 O14842 1/20 0.55
▸ PLAAT3 P53816 9/20 0.54
▸ PLAAT2 Q9NWW9 9/20 0.54
▸ HDAC2 Q92769 3/20 0.52
▸ HDAC8 Q9BY41 3/20 0.52
▸ HDAC6 Q9UBN7 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50

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 0.89 KEAP1 (0.73) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL5566614 0.81 HDAC1 (0.69) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL11141595 0.81 KEAP1 (0.61) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL1371070 0.81 KEAP1 (0.61) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL6629478 0.81 CES2 (0.74) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL258545 0.80 KEAP1 (0.67) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL29078123 0.80 KEAP1 (0.67) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL12950241 0.79 ALDH1A1 (0.61) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL3514632 0.79 ALDH1A1 (0.61) PLAAT5PLAAT4KEAP1ALDH1A1FFAR1
SCHEMBL4646048 0.78 CES1 (0.77) ALDH1A1HDAC8HDAC6TDP1MEN1

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-116964202-A Interfering RNA targeting severe acute respiratory syndrome related coronaviruses and use thereof for the treatment of covd-19 中天(上海)生物科技有限公司 2023-10-27 — — CN disclosed
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