Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5331270

NCCc1ccc2c(c1)C1C=CCC1C(c1cc3c(cc1Br)OCO3)N2.O=C(O)C(F)(F)F

nearest known ligand 0.66

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPER1 Q99527 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
GPR183 P32249 1/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
MAPT P10636 5/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TDP1 Q9NUW8 2/20 0.58
POLB P06746 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
MCL1 Q07820 2/20 0.42
BCL2L1 Q07817 1/20 0.42
GAPDH P04406 2/20 0.41
HSPA1A P0DMV8 2/20 0.41
PTPN7 P35236 2/20 0.41

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
SCHEMBL916446 0.91 MAPT (0.70) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700925 0.82 MAPT (0.71) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700932 0.80 GPER1 (0.85) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL916068 0.79 GPER1 (0.62) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL916308 0.79 GPER1 (0.60) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700923 0.79 GPER1 (0.84) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700948 0.78 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700947 0.78 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700983 0.78 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A
SCHEMBL12700921 0.78 GPER1 (1.00) GPER1L3MBTL1GPR183NPC1RAB9A

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
WO-2007019180-A2 COMPOUNDS FOR BINDING TO ERALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2007-02-15 WO disclosed