SCHEMBL11270933

SCHEMBL11270933

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 12/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34

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
SCHEMBL11264342 0.87 MLYCD (0.35) MLYCDSMN1; SMN2NR1H2NR1H3
SCHEMBL11270936 0.86 RXRA (0.33) MLYCD
SCHEMBL11261306 0.83 POLB (0.45) MLYCDSMN1; SMN2NR1H2NR1H3
SCHEMBL11266609 0.82 MLYCD (0.40) MLYCDSMN1; SMN2NR1H2NR1H3
SCHEMBL11268219 0.78 NR1H3 (0.38) MLYCDSMN1; SMN2NR1H2NR1H3
SCHEMBL11625441 0.76 MLYCD (0.37) MLYCDSMN1; SMN2
SCHEMBL11264346 0.74 TACR1 (0.32)
SCHEMBL11410783 0.74 L3MBTL1 (0.38) MLYCDSMN1; SMN2NR1H2NR1H3
SCHEMBL13760549 0.72 SMN1; SMN2 (0.56) MLYCDSMN1; SMN2NR1H2NR1H3
SCHEMBL11317603 0.71 PTGDR2 (0.46) MLYCDNR1H2NR1H3

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