SCHEMBL7939509

SCHEMBL7939509

CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.48
MEF2D Q14814 1/20 0.48
HDAC1 Q13547 5/20 0.47
SCN9A Q15858 2/20 0.47
CTSK P43235 3/20 0.47
CTSS P25774 3/20 0.47
HDAC8 Q9BY41 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.45
MMP1 P03956 3/20 0.45
MMP3 P08254 3/20 0.45
MMP9 P14780 3/20 0.45

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
SCHEMBL7939513 1.00 HDAC4 (0.48) HDAC4MEF2DHDAC1SCN9ACTSK
SCHEMBL6555028 0.88 KDM4E (0.56) HDAC4MEF2DHDAC1CTSKCTSS
SCHEMBL26436560 0.87 LMNA (0.48) HDAC4MEF2DHDAC1SCN9ACTSK
SCHEMBL6892615 0.85 CTSS (0.61) SCN9ACTSKCTSSHDAC8MMP1
SCHEMBL27613652 0.82 HDAC4 (0.61) HDAC4HDAC1CTSKCTSSHDAC8
SCHEMBL27192808 0.81 CTSS (0.55) HDAC4MEF2DCTSKCTSSLMNA
SCHEMBL27192669 0.81 CTSS (0.55) HDAC4MEF2DCTSKCTSSLMNA
SCHEMBL7379924 0.80 ANPEP (0.68) MAPT
SCHEMBL29695306 0.78 NPC1 (0.58) ALDH1A1POLBRAB9AKDM4E
SCHEMBL222110 0.78 NPC1 (0.58) ALDH1A1POLBRAB9AKDM4E

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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed