SCHEMBL27770249

SCHEMBL27770249

CC(C)(C)C(=O)ON1CCC(c2ccc(N)c(S(C)(=O)=O)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 4/20 0.38
HDAC1 Q13547 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC3 O15379 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
TRIM24 O15164 2/20 0.35
THRB P10828 1/20 0.35
DRD2 P14416 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
SLC9A1 P19634 2/20 0.34
NAMPT P43490 1/20 0.34
THRA P10827 1/20 0.33
VDR P11473 1/20 0.33
PDE4B Q07343 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 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
SCHEMBL28294631 0.86 HDAC1 (0.40) QDPRHDAC1HDAC2HDAC3TRIM24
SCHEMBL27979565 0.83 HDAC1 (0.38) QDPRHDAC1HDAC2HDAC3NAMPT
SCHEMBL27724744 0.83 HDAC1 (0.38) QDPRHDAC1HDAC2HDAC3NAMPT
SCHEMBL27945504 0.83 HDAC1 (0.38) QDPRHDAC1HDAC2HDAC3NAMPT
SCHEMBL2112595 0.82 GPR119 (0.54) GPR119THRBNAMPTPDE4B
SCHEMBL27949194 0.82 HDAC1 (0.38) QDPRHDAC1HDAC2HDAC3NAMPT
SCHEMBL27933803 0.82 QDPR (0.48) QDPRPDE4B
SCHEMBL27933802 0.81 HDAC1 (0.37) QDPRHDAC1HDAC2HDAC3NAMPT
SCHEMBL27318172 0.79 SLC18A3 (0.44) QDPRHDAC1HDAC2HDAC3GPR119
SCHEMBL27945028 0.79 CCR5 (0.41) QDPRHDAC1HDAC2HDAC3PDE4B

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-101578265-B Sulfonamide derivatives as chymase inhibitors HOFFMANN LA ROCHE 2013-05-08 CN disclosed
CN-101578265-A Sulfonamide derivatives as chymase inhibitors HOFFMANN LA ROCHE (CH) 2009-11-11 CN disclosed