SCHEMBL29198589

SCHEMBL29198589

C=CCCC(=O)Nc1ccc(OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ ALDH1A1 P00352 5/20 0.65
▸ HTT P42858 1/20 0.65
▸ HDAC3 O15379 2/20 0.61
▸ HDAC4 P56524 2/20 0.61
▸ HDAC1 Q13547 2/20 0.61
▸ HDAC7 Q8WUI4 2/20 0.61
▸ HDAC2 Q92769 2/20 0.61
▸ HDAC10 Q969S8 2/20 0.61
▸ HDAC11 Q96DB2 2/20 0.61
▸ HDAC8 Q9BY41 2/20 0.61
▸ HDAC6 Q9UBN7 2/20 0.61
▸ HDAC9 Q9UKV0 2/20 0.61
▸ HDAC5 Q9UQL6 2/20 0.61
▸ TGM2 P21980 1/20 0.59
▸ CNR1 P21554 2/20 0.59
▸ LMNA P02545 1/20 0.58
▸ CNR2 P34972 1/20 0.58
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 3/20 0.57

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
SCHEMBL29005914 0.90 L3MBTL1 (0.77) L3MBTL1ALDH1A1HTTHDAC3HDAC4
SCHEMBL3831442 0.84 L3MBTL1 (0.63) L3MBTL1ALDH1A1HTTHDAC3HDAC4
SCHEMBL28108333 0.82 L3MBTL1 (0.75) L3MBTL1ALDH1A1HTTHDAC3HDAC4
SCHEMBL28997137 0.82 POLB (0.62) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11665078 0.81 NPSR1 (0.59) L3MBTL1ALDH1A1CNR1LMNACNR2
SCHEMBL147293 0.80 L3MBTL1 (0.77) L3MBTL1ALDH1A1HTTHDAC3HDAC4
SCHEMBL27291378 0.80 L3MBTL1 (0.96) L3MBTL1ALDH1A1HTTHDAC3HDAC4
SCHEMBL147292 0.80 L3MBTL1 (0.77) L3MBTL1ALDH1A1HTTHDAC3HDAC4
SCHEMBL8277402 0.80 L3MBTL1 (0.77) L3MBTL1ALDH1A1HTTHDAC3HDAC4
SCHEMBL9313874 0.79 L3MBTL1 (0.76) L3MBTL1ALDH1A1HTTHDAC3HDAC4

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-115417782-B Chain walking type olefin transfer hydrogenation or hydrogen deuteration reduction method 江苏科技大学 2024-04-26 — — CN disclosed
CN-115417782-A Chain walking type olefin transfer hydrogenation or hydrogen deuteration reduction method 江苏科技大学 2022-12-02 — — CN disclosed
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