SCHEMBL7313557

SCHEMBL7313557

O=C(COc1c(F)c(F)c(F)c(F)c1F)COc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31
PLA2G4B P0C869 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL9425117 0.88 TSHR (0.46) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL9425753 0.86 TSHR (0.44) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL9425543 0.83 TSHR (0.42) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL503651 0.82 SMN1; SMN2 (0.70) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL3216951 0.81 MAPT (0.50) TSHRSMN1; SMN2MAPTPOLBKDM4E
SCHEMBL17229449 0.81 SMN1; SMN2 (0.41) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL12636212 0.80 TSHR (0.47) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL8827471 0.80 TSHR (0.47) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL4920850 0.80 TSHR (0.47) TSHRSMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL3026303 0.80 TSHR (0.47) TSHRSMN1; SMN2MAPTL3MBTL1POLB

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-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed