SCHEMBL6947665

SCHEMBL6947665

NC(=O)C(F)(F)C(F)(F)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
ACLY P53396 2/20 0.39
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5517330 0.87 LMNA (0.39) THRBACHEALDH1A1LDHALDHB
SCHEMBL508043 0.83 THRB (0.56) THRBACLYALDH1A1L3MBTL1LDHA
SCHEMBL27598834 0.82 THRB (0.52) THRBACLYACHEALDH1A1L3MBTL1
Guanidine SCHEMBL508257 0.81 THRB (0.43) THRBACLYACHEALDH1A1L3MBTL1
Ammonia Solution, Strong SCHEMBL28539482 0.79 THRB (0.53) THRBACLYALDH1A1L3MBTL1LDHA
Fluoride SCHEMBL10957150 0.79 THRB (0.53) THRBACLYALDH1A1L3MBTL1LDHA
SCHEMBL28417052 0.79 THRB (0.53) THRBACLYALDH1A1L3MBTL1LDHA
SCHEMBL4962834 0.79 THRB (0.53) THRBACLYALDH1A1L3MBTL1LDHA
SCHEMBL5014759 0.79 THRB (0.53) THRBACLYALDH1A1L3MBTL1LDHA
SCHEMBL28438581 0.79 THRB (0.53) THRBACLYALDH1A1L3MBTL1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333096-A1 METHOD TO IDENTIFY GENE FUNCTION USING PHAGE DISPLAY SCREENING Yale University (US) 2003-08-06 EP disclosed
EP-1212453-A4 METHOD TO IDENTIFY GENE FUNCTION USING SMALL MOLECULE PROBES UNIV YALE (US) 2003-02-26 EP disclosed
EP-1212453-A1 METHOD TO IDENTIFY GENE FUNCTION USING SMALL MOLECULE PROBES Yale University (US) 2002-06-12 EP disclosed
WO-2001018234-A1 METHOD TO IDENTIFY GENE FUNCTION USING SMALL MOLECULE PROBES YALE UNIVERSITY (US) 2001-03-15 WO disclosed