SCHEMBL7435753

SCHEMBL7435753

CC(C)(C)OC(=O)NCc1ccc2c(c1)S(=O)(=O)CC2CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
GLS O94925 3/20 0.39
NAMPT P43490 2/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ROCK2 O75116 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
GRM2 Q14416 1/20 0.36
GAA P10253 1/20 0.35
KDM4A O75164 1/20 0.35
POLB P06746 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL7425049 0.92 HDAC1 (0.40) HDAC1GLSNAMPTBRD4CREBBP
SCHEMBL7428732 0.76 SMN1; SMN2 (0.44) HDAC1NAMPTL3MBTL1
SCHEMBL7435758 0.74 TP53 (0.34)
SCHEMBL7428709 0.74 GLS (0.39) HDAC1GLSNAMPTBRD4CREBBP
SCHEMBL7129747 0.74 HDAC1 (0.42) HDAC1GLSNAMPTBRD4CREBBP
SCHEMBL7436590 0.73 GLS (0.37) HDAC1GLSNAMPTBRD4CREBBP
SCHEMBL2787151 0.71 GLS (0.58) HDAC1GLSNAMPTBRD4CREBBP
SCHEMBL185365 0.71 ATM (0.55) HDAC1GLSNAMPTBRD4L3MBTL1
SCHEMBL17171456 0.71 GPR119 (0.46) HDAC1GLSNAMPTL3MBTL1GAA
SCHEMBL13055397 0.70 KDM4A (0.51) HDAC1GLSNAMPTL3MBTL1GAA

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
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed
EP-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 EP disclosed