Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7339240

Cc1cc(C(=N)N)ccc1N1CCN(C2CCN(CC(=O)OC(C)(C)C)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.51

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 7/20 0.37
F10 P00742 5/20 0.37
PRSS1 P07477 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
TMPRSS6 Q8IU80 2/20 0.35
EML4 Q9HC35 2/20 0.35
ALK Q9UM73 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RET P07949 1/20 0.35
ROS1 P08922 1/20 0.35

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
SCHEMBL7343054 0.95 ITGB3 (0.53) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7339516 0.91 ITGB3 (0.49) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7337491 0.91 ITGB3 (0.42) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7347536 0.90 ITGB3 (0.63) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7347541 0.88 ITGB3 (0.50) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7337996 0.85 ITGB3 (0.52) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7344932 0.84 ITGB3 (0.49) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7337792 0.84 ITGB3 (0.71) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7339244 0.84 KDM4E (0.40) ITGB3ITGA2BALOX15KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7334112 0.83 ITGB3 (0.48) ITGB3ITGA2BALOX15KDM4EALDH1A1

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
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed