SCHEMBL20690145

SCHEMBL20690145

C=C(CC(=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
CES1 P23141 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL7792771 0.75 MAOA (0.40) MAOAMAOBCES1CA2CYP1A2
SCHEMBL5012369 0.74 MAOA (0.39) MAOAMAOBCES1CA2CYP1A2
SCHEMBL14123664 0.74 MAOA (0.39) MAOAMAOBCES1CA2CYP1A2
SCHEMBL5008736 0.74 MAOA (0.39) MAOAMAOBCES1CA2CYP1A2
SCHEMBL7791505 0.73 MAOA (0.41) MAOAMAOBCES1CYP1A2CYP3A4
SCHEMBL20690192 0.69 MEN1 (0.53) CES1CYP1A2CYP3A4CYP2C9KDM4E
SCHEMBL31758199 0.68 CES1 (0.59) CES1CA1CA2CYP3A4TSHR
SCHEMBL20690146 0.68 CA1 (0.30) CES1CA1CA2
SCHEMBL30466754 0.68 MEN1 (0.52) CES1CA1CA2CYP1A2CYP3A4
SCHEMBL11836186 0.68 MEN1 (0.52) CES1CA1CA2CYP1A2CYP3A4

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-2019020682-A1 PROCESS FOR THE PREPARATION OF METALLIC NANO-PARTICLE LAYERS AND THEIR USE FOR DECORA-TIVE OR SECURITY ELEMENTS BASF SE (DE) 2019-01-31 WO disclosed