SCHEMBL7438342

SCHEMBL7438342

CC(C)(C)OC(=O)NCc1ccc2c(c1)[C]CO2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
NAMPT P43490 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
KDM4A O75164 1/20 0.39
HDAC1 Q13547 1/20 0.39
GRM2 Q14416 1/20 0.39
GLS O94925 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL30932891 0.80 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1HTTHSD17B10HPGD
SCHEMBL3180689 0.75 L3MBTL1 (0.61) NAMPTL3MBTL1GAAKDM4AHDAC1
SCHEMBL7435220 0.75 NAMPT (0.42) NAMPTL3MBTL1GAAKDM4AHDAC1
SCHEMBL12405290 0.74 SMN1; SMN2 (0.46) SMN1; SMN2NAMPTL3MBTL1ALDH1A1HTT
SCHEMBL7430593 0.74 HDAC3 (0.36) SMN1; SMN2ALDH1A1HDAC1GRM2TSHR
SCHEMBL8196972 0.73 SMN1; SMN2 (0.45) SMN1; SMN2NAMPTL3MBTL1ALDH1A1HTT
SCHEMBL8192352 0.73 SMN1; SMN2 (0.45) SMN1; SMN2NAMPTL3MBTL1ALDH1A1HTT
SCHEMBL7276275 0.73 PARP1 (0.56) SMN1; SMN2ALDH1A1TSHR
SCHEMBL8252986 0.72 L3MBTL1 (0.48) SMN1; SMN2NAMPTL3MBTL1ALDH1A1HTT
SCHEMBL8252979 0.72 L3MBTL1 (0.48) SMN1; SMN2NAMPTL3MBTL1ALDH1A1HTT

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-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed