SCHEMBL31215396

SCHEMBL31215396

Cc1ccc(C(=O)O)cc1NCc1c(C)cc(F)cc1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 7/20 0.50
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ SELL P14151 2/20 0.44
▸ SELP P16109 2/20 0.44
▸ PIK3CA P42336 3/20 0.44
▸ PIK3CG P48736 2/20 0.44
▸ CASR P41180 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ SELE P16581 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL31215399 0.85 HDAC8 (0.59) HDAC8HDAC1HDAC6SELLSELP
SCHEMBL21325305 0.80 SELL (0.48) HDAC8HDAC1HDAC6SELLSELP
SCHEMBL31215359 0.79 HDAC8 (0.51) HDAC8HDAC1HDAC6
SCHEMBL31215355 0.77 HDAC8 (0.48) HDAC8HDAC1HDAC6
SCHEMBL13073785 0.77 KDM4E (0.63) HDAC8HDAC1HDAC6SELLSELP
SCHEMBL5386638 0.74 HCAR3 (0.58) HDAC8HDAC1HDAC6SELLSELP
SCHEMBL5257152 0.74 CYP3A4 (0.59) —
SCHEMBL31215357 0.73 HDAC8 (0.49) HDAC8HDAC1HDAC6
SCHEMBL31215358 0.73 EPHX2 (0.44) HDAC8HDAC1HDAC6AKR1C3
SCHEMBL450718 0.73 SELL (0.48) HDAC8HDAC1HDAC6SELLSELP

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-118851958-A Acyl sulfonamide compound, preparation method and application thereof 中国医学科学院药物研究所 2024-10-29 — — CN disclosed
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