SCHEMBL20204632

SCHEMBL20204632

C=C(C)C(F)COc1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ACHE P22303 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL15076893 0.80 ADRB2 (0.54) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL20207606 0.78 ADRB2 (0.56) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL17277526 0.78 ADRB2 (0.52) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL17277322 0.78 ADRB2 (0.52) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL28079221 0.77 ADRB2 (0.59) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL10922740 0.76 ADRB2 (0.71) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL1496742 0.76 ADRB2 (0.66) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL20201508 0.76 ADRB2 (0.50) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL30416351 0.75 ADRB2 (0.65) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL1496566 0.75 ADRB2 (0.65) ADRB2ADRB1KMT2AMEN1L3MBTL1

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-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed