Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8170100

NCCC[C@@H](COc1ccc2ccccc2c1)NC(=O)[C@@H](N)CCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
LNPEP Q9UIQ6 6/20 0.39
ERAP2 Q6P179 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PTPN1 P18031 2/20 0.38
METAP2 P50579 1/20 0.38
PTPN2 P17706 1/20 0.38
CDC25B P30305 1/20 0.38
MMP2 P08253 1/20 0.37
PPARG P37231 3/20 0.37
POLB P06746 1/20 0.37
NCOA2 Q15596 1/20 0.37

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 SCHEMBL8165236 0.93 MC4R (0.43) LTA4HLNPEPERAP2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL8163599 0.91 LTA4H (0.44) LTA4HMEN1KMT2AITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7859146 0.84 LNPEP (0.48) LTA4HLNPEPERAP2ERAP1ITGB3
Trifluoroacetic Acid SCHEMBL8165238 0.81 MC4R (0.43) LTA4HLNPEPERAP2MAPK1ITGB3
Trifluoroacetic Acid SCHEMBL8163602 0.81 MMP2 (0.42) LTA4HMAPK1ITGB3ITGA2BMMP2
Trifluoroacetic Acid SCHEMBL7860786 0.78 KDM4E (0.43) LTA4HMEN1KMT2AHTTITGB3
SCHEMBL7859103 0.77 LNPEP (0.52) LTA4HLNPEPERAP2ERAP1ITGB3
Trifluoroacetic Acid SCHEMBL7850378 0.76 MC4R (0.47) LTA4HITGB3ITGA2BPTPN1PPARG
Trifluoroacetic Acid SCHEMBL7860829 0.76 LNPEP (0.44) LNPEPERAP2MEN1KMT2AHTT
Trifluoroacetic Acid SCHEMBL8169348 0.75 MMP2 (0.42) MMP2MC4RMC3R

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-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed