Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3046988

C[Si](C)(C)CCOC(=O)[C@@H](N)Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
PTPN1 P18031 2/20 0.42
GRB2 P62993 1/20 0.42
SLC15A1 P46059 2/20 0.41
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
CTRB1 P17538 1/20 0.40
OPRK1 P41145 1/20 0.40
LTA4H P09960 1/20 0.40
CPA1 P15085 1/20 0.40
CHRM1 P11229 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 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
SCHEMBL29466821 0.93 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL10886268 0.92 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
Trifluoroacetic Acid SCHEMBL6533136 0.86 SLC1A1 (0.41) OPRK1LTA4HSLC1A3SLC1A1
Trifluoroacetic Acid SCHEMBL28209283 0.84 L3MBTL1 (0.46) ANPEPSLC1A3SLC1A1
Trifluoroacetic Acid SCHEMBL18340789 0.84 L3MBTL1 (0.46) ANPEPSLC1A3SLC1A1
Trifluoroacetic Acid SCHEMBL28194120 0.82 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine Methyl Ester SCHEMBL28593408 0.80 SLC7A5 (0.54) ALPIPKMPTGS1XIAPSLC7A5
Trifluoroacetic Acid SCHEMBL28278079 0.80 ALPI (0.54) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL7395408 0.80 ANPEP (0.46) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL7395405 0.80 ANPEP (0.46) ALPIPKMPTGS1XIAPSLC7A5

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-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed