SCHEMBL1024135

SCHEMBL1024135

CC(C)(C)OC(=O)NCCNC(=O)CC(CCN(Cc1ccccc1)C(=O)O)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
IDO1 P14902 1/20 0.41
AKT1 P31749 3/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
PTGES O14684 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 1/20 0.37
CTSK P43235 1/20 0.37
MMP1 P03956 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
SCHEMBL1023983 0.88 SYK (0.42) CTSSCTSLCTSBSIGMAR1MEN1
SCHEMBL4856705 0.84 SYK (0.48) IDO1SYKMMP1MMP3MMP9
SCHEMBL1024013 0.81 SIGMAR1 (0.49) CTSSCTSLCTSBIDO1AKT1
SCHEMBL1021128 0.80 SIRT5 (0.45) CTSSCTSLCTSBIDO1AKT1
SCHEMBL22833183 0.79 CTSL (0.54) CTSSCTSLCTSBIDO1AKT1
SCHEMBL1024008 0.79 KMT2A (0.48) CTSSCTSLCTSBIDO1AKT1
SCHEMBL1022335 0.74 SYK (0.53) MEN1KMT2ASYKMMP1MMP3
SCHEMBL5059307 0.74 CTSL (0.47) CTSSCTSLCTSBIDO1AKT1
SCHEMBL1024723 0.74 CPB1 (0.47)
SCHEMBL4848854 0.74 SYK (0.46) CTSSCTSLCTSBIDO1SIGMAR1

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
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed