SCHEMBL8545221

SCHEMBL8545221

CCC[C@H](F)C(=O)Oc1ccc(-c2ccc(OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 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
SCHEMBL8540081 0.87 DGAT1 (0.34) DGAT1MEN1KMT2ANPSR1NPC1
SCHEMBL8545570 0.85 DGAT1 (0.34) DGAT1MEN1KMT2ANPSR1NPC1
SCHEMBL8545223 0.84 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8541985 0.83 DGAT1 (0.33) DGAT1
SCHEMBL9122270 0.82 HDAC3 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8542037 0.77 FFAR1 (0.36) KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL8547042 0.76 DGAT1 (0.35) DGAT1MEN1KMT2ANPSR1NPC1
SCHEMBL7557746 0.76 ESR2 (0.34) HDAC6DGAT1PPARDPPARA
SCHEMBL8546578 0.75 DGAT1 (0.32) DGAT1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL9129539 0.75 RARB (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-0736078-B1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING & MFG (US) 1998-06-24 EP disclosed