SCHEMBL26052096

SCHEMBL26052096

COCCC1(C)CC(N2CCc3cc(C(=O)NO)cnc3C2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.40
HDAC6 Q9UBN7 12/20 0.39
GUCY1B2 O75343 2/20 0.33
GUCY1A2 P33402 2/20 0.33
GUCY1A1 Q02108 2/20 0.33
GUCY1B1 Q02153 2/20 0.33
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HRH3 Q9Y5N1 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 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
SCHEMBL26051290 0.94 ADRA1A (0.39) ADRA1AHDAC6GUCY1B2GUCY1A2GUCY1A1
SCHEMBL26058750 0.94 ADRA1A (0.39) ADRA1AHDAC6GUCY1B2GUCY1A2GUCY1A1
SCHEMBL26052112 0.89 HDAC6 (0.39) ADRA1AHDAC6GUCY1B2GUCY1A2GUCY1A1
SCHEMBL26051179 0.88 HDAC6 (0.38) ADRA1AHDAC6GUCY1B2GUCY1A2GUCY1A1
SCHEMBL26051177 0.88 HDAC6 (0.38) ADRA1AHDAC6GUCY1B2GUCY1A2GUCY1A1
SCHEMBL26052166 0.87 HDAC6 (0.38) ADRA1AHDAC6GUCY1B2GUCY1A2GUCY1A1
SCHEMBL26057297 0.86 HDAC6 (0.37) ADRA1AHDAC6GUCY1B2GUCY1A2GUCY1A1
SCHEMBL26051041 0.86 HDAC6 (0.44) ADRA1AHDAC6HDAC3HDAC1HDAC2
SCHEMBL26051345 0.84 HDAC6 (0.36) ADRA1AHDAC6HDAC3HDAC1HDAC2
SCHEMBL26051042 0.83 HDAC6 (0.42) ADRA1AHDAC6GUCY1B2GUCY1A2GUCY1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150203-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed