Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2274359

COC(=O)[C@H](CN)NS(=O)(=O)c1c(C)cc(OCCCC(=O)NCCNC(=O)OCc2ccccc2)cc1C.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.40
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP2 P08253 6/20 0.39
MMP9 P14780 6/20 0.39
ADAM10 O14672 3/20 0.39
ADAM17 P78536 3/20 0.39
HPGD P15428 2/20 0.39
MMP14 P50281 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CAPN1 P07384 1/20 0.37
CAPN2 P17655 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 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
SCHEMBL17911909 0.95 CA1 (0.42) L3MBTL1MAPTCA1CA2MMP2
SCHEMBL24136485 0.95 CA1 (0.42) L3MBTL1MAPTCA1CA2MMP2
SCHEMBL8313275 0.95 CA1 (0.42) L3MBTL1MAPTCA1CA2MMP2
Trifluoroacetic Acid SCHEMBL27589878 0.95 ITGB3 (0.44) L3MBTL1MAPTITGB3ITGA2BMMP2
Trifluoroacetic Acid SCHEMBL4385494 0.95 ITGB3 (0.44) L3MBTL1MAPTITGB3ITGA2BMMP2
SCHEMBL4385496 0.92 L3MBTL1 (0.40) L3MBTL1MAPTITGB3ITGA2BMMP2
SCHEMBL4653743 0.92 SMN1; SMN2 (0.42) L3MBTL1MAPTCA1CA2MMP2
SCHEMBL14271452 0.92 SMN1; SMN2 (0.42) L3MBTL1MAPTCA1CA2MMP2
SCHEMBL4960020 0.90 MMP2 (0.47) L3MBTL1MAPTITGB3ITGA2BMMP2
SCHEMBL19809645 0.90 MMP2 (0.47) L3MBTL1MAPTITGB3ITGA2BMMP2

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-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed