SCHEMBL1258702

SCHEMBL1258702

CC(F)(F)F.CC[n+]1c2ccccc2nc2c(OCCCC(=O)O)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
NLRP3 Q96P20 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FABP3 P05413 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
PPARD Q03181 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL11902971 0.95 LTB4R (0.41) LTB4RLTB4R2FFAR4CYSLTR2CYSLTR1
SCHEMBL12377694 0.94 LTB4R (0.42) LTB4RLTB4R2CYSLTR2CYSLTR1MEN1
Trifluoroacetic Acid SCHEMBL11902973 0.93 LTB4R (0.37) LTB4RLTB4R2FFAR4CYSLTR2CYSLTR1
Acetic Acid SCHEMBL1258679 0.92 LTB4R (0.41) LTB4RLTB4R2CYSLTR2CYSLTR1MEN1
Trifluoromethanesulfonic Acid SCHEMBL442746 0.91 LTB4R (0.36) LTB4RLTB4R2FFAR4CYSLTR2CYSLTR1
Acetic Acid SCHEMBL1258682 0.90 LTB4R (0.40) LTB4RLTB4R2CYSLTR2CYSLTR1MEN1
SCHEMBL18803960 0.82 LMNA (0.42) LTB4RLTB4R2CYSLTR2CYSLTR1MEN1
SCHEMBL18803958 0.81 FOLH1 (0.42) L3MBTL1ALDH1A1
SCHEMBL12377692 0.81 MAPT (0.40) MEN1KMT2AHIF1ALMNAALDH1A1
SCHEMBL12377705 0.81 MEN1 (0.40) MEN1KMT2ALMNANPC1USP2

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
EP-2467478-A1 STABILIZATION OF ENZYMES USING STABLE COENZYMES F. Hoffmann-La Roche AG (CH) 2012-06-27 EP disclosed
WO-2011020856-A1 STABILIZATION OF ENZYMES USING STABLE COENZYMES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO disclosed