SCHEMBL11277397

SCHEMBL11277397

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
NLRP3 Q96P20 2/20 0.40
IDH1 O75874 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PPID Q08752 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MLYCD O95822 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.35
ELANE P08246 1/20 0.35
SYK P43405 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
SCHEMBL11263342 0.88 L3MBTL1 (0.43) L3MBTL1POLBNLRP3IDH1SMN1; SMN2
SCHEMBL11261308 0.86 L3MBTL1 (0.41) L3MBTL1POLBNLRP3IDH1SMN1; SMN2
SCHEMBL11261924 0.86 POLB (0.50) L3MBTL1POLBNLRP3IDH1SMN1; SMN2
SCHEMBL11266630 0.83 ALDH1A1 (0.38) ALDH1A1RAB9AMLYCDLMNAKDM4E
SCHEMBL11263315 0.83 L3MBTL1 (0.47) L3MBTL1POLBNLRP3IDH1SMN1; SMN2
SCHEMBL11263310 0.82 L3MBTL1 (0.49) L3MBTL1POLBNLRP3IDH1SMN1; SMN2
SCHEMBL11261899 0.82 TACR1 (0.32) SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL11267589 0.80 L3MBTL1 (0.43) L3MBTL1POLBNLRP3IDH1SMN1; SMN2
SCHEMBL5312679 0.78 NLRP3 (0.59) L3MBTL1POLBNLRP3SMN1; SMN2PPID
SCHEMBL11273420 0.77 POLB (0.41) L3MBTL1POLBNLRP3IDH1SMN1; 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