SCHEMBL22384302

SCHEMBL22384302

CC(C)(C)OC(=O)C(Cc1ccc(Br)cc1)NC(=O)c1ccc(C(C)(C)C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
MAPT P10636 6/20 0.44
TDP1 Q9NUW8 4/20 0.44
POLB P06746 3/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
LY96 Q9Y6Y9 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MLYCD O95822 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
PAX8 Q06710 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
HCRTR1 O43613 1/20 0.39

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
SCHEMBL17834705 1.00 CTSS (0.47) CTSSCTSKMAPTTDP1POLB
SCHEMBL15096417 0.91 MAPT (0.44) MAPTTDP1POLBLY96NPSR1
SCHEMBL22384223 0.91 LY96 (0.50) CTSSCTSKMAPTTDP1POLB
SCHEMBL15037034 0.91 LY96 (0.50) CTSSCTSKMAPTTDP1POLB
SCHEMBL19485485 0.90 MAPT (0.55) MAPTTDP1POLBNPSR1ATM
SCHEMBL22384089 0.90 CTSS (0.47) CTSSCTSKMAPTTDP1POLB
SCHEMBL17834708 0.90 CTSS (0.47) CTSSCTSKMAPTTDP1POLB
SCHEMBL19533184 0.88 LY96 (0.48) CTSSCTSKMAPTTDP1POLB
SCHEMBL17825497 0.87 MAPT (0.43) MAPTTDP1POLBLY96NPSR1
SCHEMBL17825520 0.87 MAPT (0.43) MAPTTDP1POLBLY96NPSR1

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed