Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8360682

COc1c(NC(=O)c2coc([C@@H](CCc3ccccc3)NC(=O)[C@H](N)CCCN)n2)cnc2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 6/20 0.35
▸ ERAP2 Q6P179 5/20 0.35
▸ ERAP1 Q9NZ08 3/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ BCHE P06276 3/20 0.33
▸ F2R P25116 2/20 0.33
▸ GHSR Q92847 2/20 0.32
▸ SRC P12931 1/20 0.32
▸ ZAP70 P43403 1/20 0.32
▸ LTA4H P09960 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
Trifluoroacetic Acid SCHEMBL7723297 0.84 RAB9A (0.41) —
SCHEMBL7730488 0.82 BCHE (0.40) MAPK1BCHE
Trifluoroacetic Acid SCHEMBL7733824 0.81 MMP2 (0.39) LNPEPERAP2ERAP1F2RSRC
SCHEMBL7735983 0.79 RAB9A (0.44) —
Trifluoroacetic Acid SCHEMBL7735541 0.79 CCR3 (0.41) LNPEPERAP2ERAP1SRCZAP70
Trifluoroacetic Acid SCHEMBL7731056 0.78 PRSS1 (0.38) LNPEPLTA4H
SCHEMBL7733828 0.77 DAGLA (0.38) LNPEPERAP2ERAP1F2RSRC
SCHEMBL7735549 0.76 LTA4H (0.38) LNPEPERAP2ERAP1F2RSRC
SCHEMBL7730721 0.74 LTA4H (0.40) LNPEPERAP2ERAP1SRCZAP70
Trifluoroacetic Acid SCHEMBL7732324 0.74 SLC7A11 (0.37) F2RSRCZAP70LTA4H

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
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 — — WO disclosed