Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7986768

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)C(=O)c1ccc(C(=N)N)cc1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
ADORA1 P30542 1/20 0.37
LMNA P02545 1/20 0.33
KCNJ1 P48048 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KCNH2 Q12809 1/20 0.32
PRSS1 P07477 4/20 0.31
KDM1A O60341 1/20 0.31
TMPRSS15 P98073 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
F2 P00734 3/20 0.30
F10 P00742 3/20 0.30
PRSS2 P07478 3/20 0.30
PRSS3 P35030 3/20 0.30

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 SCHEMBL8133864 0.88 ITGB3 (0.55) ITGB3ITGA2BADORA1LMNAKMT2A
SCHEMBL7988424 0.83 ITGB3 (0.57) ITGB3ITGA2BADORA1LMNAPRMT5
Hydrochloric Acid SCHEMBL7986317 0.83 ITGB3 (0.56) ITGB3ITGA2BADORA1LMNAPRMT5
Trifluoroacetic Acid SCHEMBL7989116 0.82 ITGB3 (0.49) ITGB3ITGA2BADORA1PRSS1MEN1
SCHEMBL7992690 0.82 ADORA1 (0.43) ADORA1LMNAPRMT5WDR77MEN1
Trifluoroacetic Acid SCHEMBL7986775 0.81 ITGB3 (0.46) ITGB3ITGA2BADORA1LMNAPRMT5
Trifluoroacetic Acid SCHEMBL7989225 0.81 ITGB3 (0.48) ITGB3ITGA2BADORA1LMNAPRMT5
Trifluoroacetic Acid SCHEMBL7986792 0.80 ITGB3 (0.55) ITGB3ITGA2BPRMT5WDR77KMT2A
Trifluoroacetic Acid SCHEMBL7975354 0.79 ITGB3 (0.49) ITGB3ITGA2BADORA1PRSS1KDM1A
Trifluoroacetic Acid SCHEMBL7975791 0.79 ITGB3 (0.49) ITGB3ITGA2BADORA1PRSS1TMPRSS15

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed