SCHEMBL28627442

SCHEMBL28627442

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ KCNN4 O15554 1/20 0.50
▸ HDAC3 O15379 3/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ ELOVL1 Q9BW60 1/20 0.44
▸ CES1 P23141 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 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
SCHEMBL4447296 0.85 HDAC3 (0.63) MAPTKMT2AKCNN4HDAC3HDAC4
SCHEMBL28615437 0.82 KCNN4 (0.62) MAPTKMT2AKCNN4HDAC3HDAC4
SCHEMBL21378779 0.80 MAPT (0.61) MAPTKMT2AKCNN4HDAC3HDAC4
SCHEMBL6904745 0.79 CES1 (0.58) MAPTKMT2AKCNN4HDAC3HDAC4
SCHEMBL13270940 0.78 MAPT (0.57) MAPTKMT2AKCNN4HDAC3HDAC4
SCHEMBL9035777 0.78 HDAC3 (0.70) MAPTKMT2AKCNN4HDAC3HDAC4
SCHEMBL728471 0.78 KCNN4 (0.67) MAPTKMT2AKCNN4HDAC3HDAC4
SCHEMBL1818707 0.78 PPARA (0.47) MAPTKMT2AKCNN4HDAC3HDAC4
SCHEMBL616520 0.78 KCNN4 (0.43) MAPTKMT2AKCNN4HDAC3HDAC4
SCHEMBL9486594 0.77 MAPT (0.62) MAPTKMT2AKCNN4HDAC3HDAC4

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
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
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