SCHEMBL29005914

SCHEMBL29005914

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.77
▸ CNR1 P21554 3/20 0.70
▸ HDAC1 Q13547 3/20 0.69
▸ HDAC8 Q9BY41 3/20 0.69
▸ HDAC3 O15379 2/20 0.69
▸ HDAC4 P56524 2/20 0.69
▸ HDAC7 Q8WUI4 2/20 0.69
▸ HDAC2 Q92769 2/20 0.69
▸ HDAC10 Q969S8 2/20 0.69
▸ HDAC11 Q96DB2 2/20 0.69
▸ HDAC6 Q9UBN7 2/20 0.69
▸ HDAC9 Q9UKV0 2/20 0.69
▸ HDAC5 Q9UQL6 2/20 0.69
▸ CNR2 P34972 2/20 0.64
▸ ALDH1A1 P00352 4/20 0.60
▸ HTT P42858 1/20 0.60
▸ KMT2A Q03164 4/20 0.58
▸ LMNA P02545 2/20 0.56
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55

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
SCHEMBL29198589 0.90 L3MBTL1 (0.69) L3MBTL1CNR1HDAC1HDAC8HDAC3
SCHEMBL28157827 0.87 L3MBTL1 (0.79) L3MBTL1CNR1HDAC1HDAC8HDAC3
SCHEMBL27291378 0.86 L3MBTL1 (0.96) L3MBTL1CNR1HDAC1HDAC8HDAC3
SCHEMBL17252162 0.82 HDAC3 (0.68) L3MBTL1CNR1HDAC1HDAC8HDAC3
SCHEMBL20777965 0.82 CNR1 (1.00) L3MBTL1CNR1HDAC1HDAC8HDAC3
SCHEMBL24262955 0.82 L3MBTL1 (0.87) L3MBTL1CNR1HDAC1HDAC8HDAC3
SCHEMBL8182879 0.82 L3MBTL1 (0.87) L3MBTL1CNR1HDAC1HDAC8HDAC3
SCHEMBL8185593 0.82 L3MBTL1 (0.87) L3MBTL1CNR1HDAC1HDAC8HDAC3
SCHEMBL28622501 0.82 PSMB11 (0.65) L3MBTL1CNR1HDAC1HDAC8HDAC3
SCHEMBL9077076 0.81 L3MBTL1 (0.84) L3MBTL1CNR1HDAC1HDAC8HDAC3

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-116143844-A Hydrophilic trimeric indenyl metal organic nickel octahedral cage and preparation method and application thereof 江苏科技大学 2023-05-23 — — CN disclosed
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