SCHEMBL9752897

SCHEMBL9752897

CC(C)(C)OC(=O)N[C@@H](CCCSc1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 1/20 0.47
SIRT5 Q9NXA8 1/20 0.45
CNR2 P34972 2/20 0.43
CAPN1 P07384 1/20 0.43
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
REN P00797 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41

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
SCHEMBL7250898 0.79 PPARA (0.57) CTSKCTSBCTSSGABRB1GABRB2
SCHEMBL7289392 0.79 PPARA (0.57) CTSKCTSBCTSSGABRB1GABRB2
SCHEMBL5228193 0.79 PPARA (0.57) CTSKCTSBCTSSGABRB1GABRB2
SCHEMBL9331930 0.78 CTSS (0.69) CTSKCTSBCTSSRENHDAC8
SCHEMBL8740509 0.78 CTSS (0.69) CTSKCTSBCTSSRENHDAC8
SCHEMBL7655882 0.78 CTSS (0.69) CTSKCTSBCTSSRENHDAC8
SCHEMBL8977885 0.77 CTSS (0.52) CTSKCTSBCTSSCAPN1HDAC4
SCHEMBL9752900 0.76 EPHX1 (0.45) CTSKCTSBCTSSSIRT5HDAC4
SCHEMBL4166176 0.76 HDAC4 (0.57) CTSKCTSBCTSSSIRT5HDAC4
SCHEMBL9752899 0.75 CNR2 (0.42) CTSBCNR2CAPN1HDAC4HDAC1

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-1991008737-A2 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES FISONS PLC (GB) 1991-06-27 WO disclosed