Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6286322

NCCCC[C@@H](NC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)c3cccc4ccccc34)cc2)c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)c3cccc4ccccc34)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
PLG P00747 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
PYGL P06737 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
DEGS1 O15121 1/20 0.39
PADI1 Q9ULC6 2/20 0.39
PADI3 Q9ULW8 2/20 0.39
PADI4 Q9UM07 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PADI2 Q9Y2J8 1/20 0.39
HDAC1 Q13547 1/20 0.38
NTMT1 Q9BV86 1/20 0.38
NPY1R P25929 1/20 0.38
TGM2 P21980 1/20 0.38

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 SCHEMBL6290412 0.91 FNTA (0.42) MCHR1PLGPYGLEHMT2DEGS1
Trifluoroacetic Acid SCHEMBL6290420 0.91 FNTA (0.42) MCHR1PLGPYGLEHMT2DEGS1
Trifluoroacetic Acid SCHEMBL6287713 0.88 PLG (0.43) PLGEHMT2PADI1PADI3PADI4
Trifluoroacetic Acid SCHEMBL6287882 0.88 PYGL (0.39) PLGPYGLEHMT2PADI1PADI3
Trifluoroacetic Acid SCHEMBL6287789 0.86 HDAC4 (0.50) PLGEHMT2PADI1PADI3PADI4
Trifluoroacetic Acid SCHEMBL6290915 0.86 HDAC4 (0.50) PLGEHMT2PADI1PADI3PADI4
Trifluoroacetic Acid SCHEMBL6282751 0.83 HPGDS (0.48) PLGHDAC1HDAC4MEF2D
Trifluoroacetic Acid SCHEMBL6288016 0.80 CALCRL (0.47) PLGHDAC1HDAC4
Trifluoroacetic Acid SCHEMBL6286278 0.80 CALCRL (0.47) PLGHDAC1HDAC4
Hydrochloric Acid SCHEMBL6290418 0.79 DHPS (0.45) PLGEHMT2PADI4PADI2HDAC1

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-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed