SCHEMBL11270936

SCHEMBL11270936

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
PPARG P37231 3/20 0.33
RXRG P48443 3/20 0.33
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 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
SCHEMBL11264346 0.88 TACR1 (0.32) RXRARXRBPPARGRXRGHSD11B1
SCHEMBL11270933 0.86 MLYCD (0.39) MLYCD
SCHEMBL11261308 0.84 L3MBTL1 (0.41) RXRARXRBPPARGRXRGALDH1A1
SCHEMBL11266630 0.83 ALDH1A1 (0.38) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL11268221 0.79 CDC25A (0.33) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL11625445 0.76 SOAT1 (0.35) SOAT1
SCHEMBL11264342 0.74 MLYCD (0.35) NPSR1MLYCDLMNA
SCHEMBL11317606 0.73 PTGDR2 (0.47)
SCHEMBL11346217 0.73 CA1 (0.47) LMNA
SCHEMBL11261899 0.70 TACR1 (0.32) KMT2AMEN1ALDH1A1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4267193-A N-substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto SCHERING CORPORATION (US) 1981-05-12 US claimed
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