SCHEMBL11378459

SCHEMBL11378459

N#Cc1ccc2c(c1)C(=O)C1(CC1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ PPIB P23284 1/20 0.40
▸ HTR2A P28223 2/20 0.39
▸ NPY5R Q15761 2/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ABCC9 O60706 2/20 0.35
▸ ABCC8 Q09428 2/20 0.35

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
SCHEMBL11155942 0.75 PPIB (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL11150119 0.73 MAPT (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1464737 0.73 BACE1 (0.55) —
SCHEMBL1464738 0.73 BACE1 (0.55) —
SCHEMBL7269382 0.72 MAPT (0.61) MALT1HTR2A
SCHEMBL9876471 0.72 KDM4E (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10334515 0.71 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13167658 0.71 PPIB (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2471424 0.71 MALT1 (0.43) MALT1CASP3ABCC9CYP1A2CYP2D6
SCHEMBL11248037 0.71 HDAC3 (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
US-4284644-A Spirobenzofuranone compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-18 — — US disclosed
EP-0018830-A2 Spirobenzofuranones, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-11-12 — — EP disclosed
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