SCHEMBL9752867

SCHEMBL9752867

C#CC(C)(C)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.39
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
RECQL P46063 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 2/20 0.38

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
SCHEMBL6209958 0.83 L3MBTL1 (0.42) L3MBTL1KDM4EALDH1A1POLBSLC6A2
SCHEMBL2737127 0.80 L3MBTL1 (0.47) L3MBTL1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL7768141 0.79 CA1 (0.39) MAOBPPARGPPARA
SCHEMBL8709433 0.79 L3MBTL1 (0.50) L3MBTL1KDM4EALDH1A1POLBSLC6A2
SCHEMBL30620488 0.77 ACHE (0.48) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL14661889 0.77 ACHE (0.44) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL11527555 0.76 KIF11 (0.51) L3MBTL1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL10345195 0.75 TSHR (0.44) L3MBTL1KDM4EALDH1A1POLBSLC6A2
SCHEMBL11662822 0.75 MAOB (0.41) L3MBTL1KDM4EALDH1A1POLBSLC6A2
SCHEMBL15146324 0.75 L3MBTL1 (0.50) L3MBTL1KDM4EALDH1A1POLBSLC6A2

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-1991009031-A1 TRIFLUOROMETHYL SUBSTITUTED COMPOUNDS AND A PHARMACEUTICAL COMPOSITION BEECHAM GROUP PLC (GB) 1991-06-27 WO disclosed