SCHEMBL27416601

SCHEMBL27416601

CCCC(=O)Nc1cccc(CC[O])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
GAA P10253 1/20 0.56
F2R P25116 8/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MTNR1B P49286 1/20 0.53
PARP1 P09874 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
GFER P55789 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL7470058 0.87 MAPT (0.56) MAPTGAAF2RHDAC3HDAC4
SCHEMBL14351016 0.86 MAPT (0.58) MAPTGAAF2RHDAC3HDAC4
SCHEMBL24538415 0.86 MAPT (0.75) MAPTGAAF2RHDAC3HDAC4
SCHEMBL12255382 0.84 MTNR1B (0.56) MAPTGAAF2RHDAC3HDAC4
SCHEMBL11202642 0.84 MAPT (0.53) MAPTGAAF2RHDAC3HDAC4
SCHEMBL11202648 0.84 MAPT (0.53) MAPTGAAF2RHDAC3HDAC4
SCHEMBL10975643 0.84 F2R (0.73) MAPTF2RMTNR1BALDH1A1HPGD
SCHEMBL4599428 0.83 MAPT (0.58) MAPTGAAF2RHDAC3HDAC4
SCHEMBL15946032 0.82 HDAC3 (0.63) MAPTGAAHDAC3HDAC4HDAC1
SCHEMBL25016092 0.82 MAPT (0.57) MAPTGAAF2RHDAC3HDAC4

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
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed