SCHEMBL9709314

SCHEMBL9709314

O=C(O)C(F)(F)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.34
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL23519079 0.76 NOTUM (0.41) NOTUM
SCHEMBL10968659 0.71
SCHEMBL19865289 0.71 NOTUM (0.36) NOTUMMAPT
SCHEMBL15419843 0.71 CES2 (0.41) NOTUMCA1CA2MAPT
SCHEMBL23447294 0.69 NOTUM (0.43) NOTUM
SCHEMBL24361437 0.69 NOTUM (0.46) TSHRSMN1; SMN2NOTUMHSD17B10L3MBTL1
SCHEMBL5169953 0.69 NOTUM (0.46) NOTUMMAPT
SCHEMBL23519080 0.69 PTGS2 (0.39) TSHRSMN1; SMN2NOTUMHSD17B10CA1
SCHEMBL23519003 0.69 NOTUM (0.36) NOTUMPOLB
SCHEMBL31181867 0.68 TSHR (0.36) TSHRSMN1; SMN2

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
US-5142063-A For hydrogenation of alpha-beta unsaturated acids and esters alpha-meto lactones and alpha-keto acids or esters HOFFMANN-LA ROCHE, INC. (US) 1992-08-25 US disclosed