Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6672935

CCCOC(=O)C(N)C(CCCN)c1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
SLC2A1 P11166 2/20 0.35
NR3C1 P04150 1/20 0.34
CNR2 P34972 2/20 0.33
F2 P00734 1/20 0.33
F3 P13726 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
THRB P10828 1/20 0.32
PPARA Q07869 1/20 0.32
PDE4B Q07343 1/20 0.32
CNR1 P21554 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
SCHEMBL6672316 0.96 NR3C1 (0.37) LMNANR3C1CNR2MAPTEGLN1
SCHEMBL6672937 0.88 LMNA (0.35) LMNANR3C1CNR2POLBMAPT
Trifluoroacetic Acid SCHEMBL6198172 0.80 LMNA (0.36) LMNASLC2A1CNR2POLBMAPT
SCHEMBL6667062 0.79 POLB (0.37) LMNANR3C1CNR2POLBMAPT
SCHEMBL6666974 0.78 LMNA (0.39) LMNANR3C1CNR2POLBMAPT
SCHEMBL6198178 0.76 EGLN1 (0.38) LMNANR3C1CNR2EGLN1THRB
SCHEMBL6199942 0.75 NR3C1 (0.39) LMNANR3C1CNR2EPHX2EGLN1
SCHEMBL6201997 0.75 EGLN1 (0.37) LMNANR3C1CNR2EPHX2EGLN1
SCHEMBL6197986 0.73 EGLN1 (0.49) LMNANR3C1CNR2EGLN1
SCHEMBL6671910 0.72 P2RX3 (0.36) LMNANR3C1CNR2POLBMAPT

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-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed