SCHEMBL29168673

SCHEMBL29168673

CC(C)(C)C(=O)c1ccc2c(c1)CN(C(=O)O)C2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.56
HDAC8 Q9BY41 3/20 0.56
HSP90AA1 P07900 5/20 0.40
HSP90AB1 P08238 3/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HDAC1 Q13547 1/20 0.40
HSP90B1 P14625 1/20 0.40
NAMPT P43490 3/20 0.39
ALDH1A1 P00352 1/20 0.39
RIPK1 Q13546 1/20 0.38
NOTUM Q6P988 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL1075113 0.81 ALDH1A1 (0.53) HDAC6HDAC8NAMPTALDH1A1
SCHEMBL28205358 0.78 NAMPT (0.49) HDAC6HDAC8DPP9NAMPTALDH1A1
SCHEMBL1027717 0.77 NAMPT (0.54) HDAC6HDAC8NAMPTALDH1A1
SCHEMBL11816169 0.76 HDAC6 (0.45) HDAC6HDAC8HDAC1ALDH1A1
SCHEMBL28956614 0.75 HDAC6 (0.50) HDAC6HDAC8HDAC1NAMPT
SCHEMBL2814463 0.75 KMT2A (0.57) ALDH1A1
Hydrochloric Acid SCHEMBL11828577 0.75 HDAC6 (0.44) HDAC6HDAC8HDAC1ALDH1A1
SCHEMBL8205780 0.74 DPP7 (0.47) HDAC6HDAC8HSP90AA1HSP90AB1DPP4
SCHEMBL14048143 0.74 DPP8 (0.54) HSP90AA1DPP4DPP8DPP9DPP7
SCHEMBL14817233 0.74 ALDH1A1 (0.63) HDAC6HDAC8ALDH1A1

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-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed