Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9201442

O=C(NC1CNCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 20/20 0.91
PRKCA P17252 20/20 0.91
PRKCE Q02156 19/20 0.91
PRKCG P05129 18/20 0.91
PRKCH P24723 18/20 0.91
PRKCD Q05655 18/20 0.91
PRKACA P17612 14/20 0.91
PRKACG P22612 9/20 0.83
PRKACB P22694 9/20 0.83
PRKCZ Q05513 8/20 0.83
PRKD3 O94806 2/20 0.83
PRKCI P41743 2/20 0.83
PRKCQ Q04759 2/20 0.83
PRKD1 Q15139 2/20 0.83
GRK2 P25098 1/20 0.83
GRK4 P32298 1/20 0.83
GRK5 P34947 1/20 0.83
GRK3 P35626 1/20 0.83
GRK6 P43250 1/20 0.83
PRKG1 Q13976 1/20 0.83

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
Balanol SCHEMBL9198347 0.96 PRKCB (0.91) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL9198287 0.96 PRKCB (0.91) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL9393094 0.96 PRKCB (0.91) PRKCBPRKCAPRKCEPRKCGPRKCH
Trifluoroacetic Acid SCHEMBL9396433 0.94 PRKCB (0.81) PRKCBPRKCAPRKCEPRKCGPRKCH
Trifluoroacetic Acid SCHEMBL9196770 0.93 PRKCB (0.90) PRKCBPRKCAPRKCEPRKCGPRKCH
Trifluoroacetic Acid SCHEMBL9393148 0.93 PRKCB (0.90) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL62129 0.91 PRKCB (1.00) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL62128 0.91 PRKCB (1.00) PRKCBPRKCAPRKCEPRKCGPRKCH
Balanol SCHEMBL12012990 0.91 PRKCB (1.00) PRKCBPRKCAPRKCEPRKCGPRKCH
Trifluoroacetic Acid SCHEMBL9201598 0.91 PRKCB (0.81) PRKCBPRKCAPRKCEPRKCGPRKCH

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-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed