SCHEMBL20201508

SCHEMBL20201508

CCC(F)COc1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ACHE P22303 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
F2 P00734 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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 0.87 ADRB2 (0.54) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL17277526 0.85 ADRB2 (0.52) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL17277322 0.85 ADRB2 (0.52) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL1496742 0.83 ADRB2 (0.66) ADRB2ADRB1KMT2AMEN1L3MBTL1
SCHEMBL20207606 0.82 ADRB2 (0.56) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL10154613 0.82 ADRB2 (0.56) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL17425093 0.80 LMNA (0.53) ADRB2ADRB1
SCHEMBL27523668 0.79 ADRB2 (0.50) ADRB2ADRB1ACHEKMT2AMEN1
SCHEMBL3723068 0.78 ADRB2 (0.59) ADRB2ADRB1ACHEKMT2AMEN1
Hydrochloric Acid SCHEMBL27537979 0.78 ADRB2 (0.49) ADRB2ADRB1ACHEKMT2AMEN1

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
WO-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed