SCHEMBL11264346

SCHEMBL11264346

CC(C)c1cc(C(F)(F)C(O)(F)C(F)(F)F)cc(C(C)C)c1NCC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.32
CACNA1F O60840 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
PPARG P37231 1/20 0.31
RXRG P48443 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL11270936 0.88 RXRA (0.33) HSD11B1MEN1KMT2ARXRARXRB
SCHEMBL11264342 0.86 MLYCD (0.35)
SCHEMBL11261899 0.83 TACR1 (0.32) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11261308 0.83 L3MBTL1 (0.41) RXRARXRBPPARGRXRGALDH1A1
SCHEMBL11262905 0.80 MEN1 (0.33) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11625445 0.75 SOAT1 (0.35)
SCHEMBL11270933 0.74 MLYCD (0.39)
SCHEMBL11346217 0.72 CA1 (0.47)
SCHEMBL11266630 0.71 ALDH1A1 (0.38) RXRARXRBRXRGALDH1A1
SCHEMBL11275932 0.69 PGK1 (0.33) MEN1KMT2AALDH1A1

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
US-4322434-A N-Substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto SCHERING CORPORATION (US) 1982-03-30 US disclosed
US-4267193-A N-substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto SCHERING CORPORATION (US) 1981-05-12 US disclosed