Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5096424

N=C(N)c1cccc(OCCCNC(=O)[C@H](CCCCN)NC(=O)OCc2ccccc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.53

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.53
SIRT1 Q96EB6 2/20 0.53
SIRT3 Q9NTG7 2/20 0.53
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
TPSAB1 Q15661 4/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
F10 P00742 1/20 0.48
TLR2 O60603 2/20 0.48
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45

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
SCHEMBL3908350 0.97 SIRT2 (0.55) SIRT2SIRT1SIRT3CPB1CPB2
Trifluoroacetic Acid SCHEMBL3898325 0.91 F10 (0.49) SIRT2SIRT1SIRT3ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3901330 0.91 F10 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3909089 0.91 F10 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL14132266 0.88 F10 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL14132050 0.88 F10 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL14132310 0.88 F10 (0.52) SIRT2SIRT1SIRT3TPSAB1PRSS1
Trifluoroacetic Acid SCHEMBL3897942 0.87 F10 (0.52) SIRT2ITGB3ITGA2BTPSAB1PRSS1
Trifluoroacetic Acid SCHEMBL5092493 0.87 F10 (0.52) SIRT2ITGB3ITGA2BTPSAB1PRSS1
SCHEMBL3898330 0.87 F10 (0.47) SIRT2SIRT1SIRT3TPSAB1PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed