SCHEMBL8664876

SCHEMBL8664876

O=C(CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.67
HDAC3 O15379 3/20 0.67
HDAC2 Q92769 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
HDAC6 Q9UBN7 3/20 0.67
HDAC5 Q9UQL6 3/20 0.67
HDAC4 P56524 2/20 0.67
HDAC7 Q8WUI4 2/20 0.67
HDAC10 Q969S8 2/20 0.67
HDAC11 Q96DB2 2/20 0.67
HDAC9 Q9UKV0 2/20 0.67
MAPK1 P28482 1/20 0.67
ADRA1A P35348 1/20 0.67
SLC6A3 Q01959 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NPC1 O15118 1/20 0.60
CASP3 P42574 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL25456057 0.94 MAPT (0.66) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5674267 0.89 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL452362 0.87 TDP1 (0.79) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL19561359 0.85 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL9404033 0.85 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL31596300 0.85 TDP1 (0.76) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27831457 0.85 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL8619264 0.84 CES1 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3286619 0.83 HDAC3 (0.61) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL2342367 0.83 MAPT (0.62) HDAC1HDAC3HDAC2HDAC8HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521262-B Polydentate beta-diketone ligand, luminescent rare earth complex thereof and application 复旦大学 2021-11-05 CN disclosed
CN-112521262-A Polydentate beta-diketone ligand, luminescent rare earth complex thereof and application 复旦大学 2021-03-19 CN disclosed
CN-101423501-A Heterocycle-containing 5-phenyl-2,4-pentadienyl-1-ones compounds as well as preparation method and application thereof UNIV CHINA AGRICULTURAL (CN) 2009-05-06 CN disclosed
EP-0686685-B1 Photochromic dye RODENSTOCK OPTIK G (DE) 1998-12-02 EP disclosed
EP-0686685-A2 Photochromic dye Optische Werke G. Rodenstock (DE) 1995-12-13 EP disclosed