SCHEMBL13380262

SCHEMBL13380262

CCOP(=O)(Cc1c(F)c(F)c(Br)c(F)c1F)OCC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PPARD Q03181 1/20 0.35
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6311761 0.90 TSHR (0.48) TSHRPPARDMAPTHTTTP53
SCHEMBL13421215 0.88 TSHR (0.46) TSHRPPARDMAPTHTTTP53
SCHEMBL10041879 0.82 TSHR (0.48) TSHRPPARDMAPTHTTTP53
SCHEMBL10013495 0.80 TSHR (0.46) TSHRPPARDMAPTHTTTP53
SCHEMBL517580 0.80 TSHR (0.46) TSHRPPARDMAPTHTTTP53
SCHEMBL10013491 0.79 TSHR (0.44) TSHRPPARDMAPTHTTTP53
SCHEMBL10013496 0.76 TSHR (0.41) TSHRPPARDMAPTHTTTP53
SCHEMBL17542337 0.75 TSHR (0.38) TSHRPPARDMAPTHTT
SCHEMBL19352254 0.75 TSHR (0.34) TSHRPPARD
SCHEMBL12567322 0.74 TSHR (0.40) TSHRPPARDMAPTHTTTP53

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
WO-2010047335-A1 BENZENE COMPOUND 国立大学法人京都大学 (JP) 2010-04-29 WO disclosed