Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7447952

CCOC(=O)C(C)C(C(=O)O)N1CCC(N2CCN(c3ccc(C(=N)N)cc3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.52

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.52
ITGA2B P08514 12/20 0.52
ALOX15 P16050 1/20 0.51
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 7/20 0.38
PRSS2 P07478 7/20 0.38
PRSS3 P35030 7/20 0.38
F2 P00734 1/20 0.37
TMPRSS6 Q8IU80 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
F10 P00742 3/20 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
SCHEMBL7441356 0.95 ITGB3 (0.57) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7447954 0.89 ITGB3 (0.48) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7449755 0.87 ITGB3 (0.52) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7447966 0.85 KDM4E (0.37) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7448252 0.83 ITGB3 (0.52) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7342234 0.83 ITGB3 (0.59) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7341381 0.82 ITGB3 (0.68) ITGB3ITGA2BALOX15MEN1KMT2A
Iodomethane SCHEMBL9367655 0.81 ITGB3 (0.57) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7441385 0.79 KDM4E (0.40) ITGB3ITGA2BALOX15MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7442158 0.78 ITGB3 (0.56) ITGB3ITGA2BALOX15MEN1KMT2A

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
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed