Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6287713

NCCCC[C@@H](NC(=O)c1ccccc1O)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)c3ccccc3O)cc2)c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)c3ccccc3O)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.43
EHMT2 Q96KQ7 2/20 0.41
KLK1 P06870 1/20 0.41
KLK5 Q9Y337 1/20 0.41
PADI1 Q9ULC6 2/20 0.41
PADI3 Q9ULW8 2/20 0.41
PADI4 Q9UM07 2/20 0.41
PADI2 Q9Y2J8 1/20 0.40
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39
SSTR3 P32745 1/20 0.39
CA1 P00915 3/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CALCRL Q16602 1/20 0.39
F2 P00734 1/20 0.38
ALOX5 P09917 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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 SCHEMBL6290915 0.88 HDAC4 (0.50) PLGEHMT2PADI1PADI3PADI4
Trifluoroacetic Acid SCHEMBL6287789 0.88 HDAC4 (0.50) PLGEHMT2PADI1PADI3PADI4
Trifluoroacetic Acid SCHEMBL6286322 0.88 MCHR1 (0.46) PLGEHMT2PADI1PADI3PADI4
Trifluoroacetic Acid SCHEMBL6287882 0.84 PYGL (0.39) PLGEHMT2PADI1PADI3PADI4
Trifluoroacetic Acid SCHEMBL6290420 0.84 FNTA (0.42) PLGEHMT2PADI1PADI3PADI4
Trifluoroacetic Acid SCHEMBL6290412 0.84 FNTA (0.42) PLGEHMT2PADI1PADI3PADI4
Trifluoroacetic Acid SCHEMBL6286376 0.83 CALCRL (0.46) PLGEHMT2HDAC4MEF2DSSTR3
Trifluoroacetic Acid SCHEMBL6282751 0.83 HPGDS (0.48) PLGHDAC4MEF2DCA1CA12
Trifluoroacetic Acid SCHEMBL6286278 0.82 CALCRL (0.47) PLGHDAC4SSTR3CALCRLLTA4H
Trifluoroacetic Acid SCHEMBL6288016 0.82 CALCRL (0.47) PLGHDAC4SSTR3CALCRLLTA4H

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