Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7860829

NCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.44
ERAP2 Q6P179 2/20 0.44
OPRK1 P41145 1/20 0.41
MC4R P32245 2/20 0.40
MC5R P33032 2/20 0.40
MC3R P41968 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB10 P40306 1/20 0.40
PSMB2 P49721 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7860762 0.95 LNPEP (0.47) LNPEPERAP2OPRK1MC4RMC5R
Trifluoroacetic Acid SCHEMBL7859146 0.93 LNPEP (0.48) LNPEPERAP2PLAUITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7860786 0.93 KDM4E (0.43) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL8170011 0.87 ERAP2 (0.40) LNPEPERAP2OPRK1MC4RMC5R
SCHEMBL7860804 0.87 MMP2 (0.47) PPARGPPARAITGB3ITGA2BFCER2
SCHEMBL7859103 0.86 LNPEP (0.52) LNPEPERAP2ITGB3ITGA2BERAP1
SCHEMBL7850357 0.84 MMP2 (0.51) LNPEPERAP2OPRK1PPARGPPARA
Trifluoroacetic Acid SCHEMBL7860864 0.84 ERAP2 (0.42) LNPEPERAP2OPRK1MC4RMC5R
Trifluoroacetic Acid SCHEMBL8165238 0.83 MC4R (0.43) LNPEPERAP2OPRK1MC4RMC5R
Trifluoroacetic Acid SCHEMBL8165236 0.83 MC4R (0.43) LNPEPERAP2OPRK1MC4RMC5R

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
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed