SCHEMBL11261306

SCHEMBL11261306

CCOC(=O)CNc1c(C(C)C)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MLYCD O95822 4/20 0.41
LMNA P02545 1/20 0.40
IDH1 O75874 2/20 0.39
NLRP3 Q96P20 4/20 0.39
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PPID Q08752 1/20 0.36
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL11261308 0.88 L3MBTL1 (0.41) POLBL3MBTL1MLYCDIDH1NLRP3
SCHEMBL11261924 0.85 POLB (0.50) POLBL3MBTL1MLYCDLMNAIDH1
SCHEMBL11263309 0.84 MLYCD (0.44) POLBL3MBTL1MLYCDLMNAIDH1
SCHEMBL11270933 0.83 MLYCD (0.39) MLYCDNR1H2NR1H3SMN1; SMN2
SCHEMBL11263339 0.82 POLB (0.47) POLBL3MBTL1MLYCDLMNAIDH1
SCHEMBL11264342 0.82 MLYCD (0.35) MLYCDLMNANR1H2NR1H3SMN1; SMN2
SCHEMBL11304409 0.79 LMNA (0.40) MLYCDLMNANLRP3NR1H3SMN1; SMN2
SCHEMBL11273420 0.77 POLB (0.41) POLBL3MBTL1MLYCDLMNAIDH1
SCHEMBL11263310 0.76 L3MBTL1 (0.49) POLBL3MBTL1MLYCDLMNAIDH1
SCHEMBL11267236 0.76 NLRP3 (0.63) POLBL3MBTL1LMNANLRP3SMN1; SMN2

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-4322434-A N-Substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto SCHERING CORPORATION (US) 1982-03-30 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