SCHEMBL4447296

SCHEMBL4447296

CONC(=O)C(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.63
HDAC4 P56524 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
KDM4E B2RXH2 1/20 0.53
KCNN4 O15554 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7720891 0.86 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28627442 0.85 MAPT (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28615437 0.82 KCNN4 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28622611 0.81 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29882472 0.81 GRIN2D (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8113597 0.80 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6904745 0.79 CES1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7418194 0.79 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2844474 0.78 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4373828 0.78 HDAC3 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214134-B Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2022-08-30 CN disclosed
CN-113214134-A Synthesis method of quaternary carbon oxoindole skeleton 南通大学 2021-08-06 CN disclosed
WO-2009148961-A2 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-12-10 WO disclosed