SCHEMBL29054829

SCHEMBL29054829

O=C(CCCCOc1cc(=O)oc2ccc(F)cc12)NO

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.60
▸ HDAC8 Q9BY41 14/20 0.46
▸ HDAC6 Q9UBN7 14/20 0.46
▸ HDAC3 O15379 13/20 0.46
▸ HDAC4 P56524 13/20 0.46
▸ HDAC7 Q8WUI4 13/20 0.46
▸ HDAC2 Q92769 13/20 0.46
▸ HDAC10 Q969S8 13/20 0.46
▸ HDAC11 Q96DB2 13/20 0.46
▸ HDAC9 Q9UKV0 13/20 0.46
▸ HDAC5 Q9UQL6 13/20 0.46
▸ KDR P35968 4/20 0.46
▸ KCNA3 P22001 1/20 0.45
▸ EGFR P00533 3/20 0.43
▸ ERBB2 P04626 2/20 0.43

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
SCHEMBL30537363 1.00 HDAC1 (0.60) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL29054817 0.99 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL29054934 0.99 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL30537328 0.99 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL30537338 0.99 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL29054842 0.96 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL30537360 0.96 HDAC1 (0.55) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL29054837 0.87 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL30537356 0.87 HDAC1 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL29054835 0.86 HDAC1 (0.62) HDAC1HDAC8HDAC6HDAC3HDAC4

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-116621801-A Coumarin derivative and preparation method and application thereof 暨南大学 2023-08-22 — — CN disclosed
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