SCHEMBL11248037

SCHEMBL11248037

CNc1ccc2c(c1)C(=O)C1(CC1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.43
▸ HDAC4 P56524 5/20 0.43
▸ HDAC1 Q13547 5/20 0.43
▸ HDAC7 Q8WUI4 5/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ HDAC10 Q969S8 5/20 0.43
▸ HDAC11 Q96DB2 5/20 0.43
▸ HDAC8 Q9BY41 5/20 0.43
▸ HDAC6 Q9UBN7 5/20 0.43
▸ HDAC9 Q9UKV0 5/20 0.43
▸ HDAC5 Q9UQL6 5/20 0.43
▸ PPIB P23284 1/20 0.43
▸ GFER P55789 1/20 0.37
▸ JAK2 O60674 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NR3C2 P08235 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32

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
Hydrochloric Acid SCHEMBL11377295 0.98 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11248420 0.82 NR3C2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11248254 0.82 CYP1A2 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11381130 0.82 ALDH1A1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11379323 0.79 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11155759 0.78 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23561634 0.75 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11248793 0.75 MAPT (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11155942 0.75 PPIB (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13167658 0.74 PPIB (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-0003084-B1 SPIROBENZOFURANONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICINES Takeda Chemical Industries, Ltd. (JP) 1982-02-24 — — EP claimed
US-4284644-A Spirobenzofuranone compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-18 — — US claimed
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