SCHEMBL16455673

SCHEMBL16455673

CC(C)(C)OC(=O)c1cnccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.46
RBP4 P02753 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CFTR P13569 1/20 0.40
DGAT2 Q96PD7 1/20 0.38
SSTR4 P31391 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES2 O00748 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LATS1 O95835 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL3093031 0.84 ALDH1A1 (0.54) POLBNPC1MAPTRBP4ALDH1A1
SCHEMBL3642887 0.81 NPC1 (0.52) POLBNPC1MAPTRBP4ALDH1A1
SCHEMBL28065059 0.80 NPC1 (0.46) POLBNPC1MAPTRBP4ALDH1A1
SCHEMBL28109640 0.80 MAPT (0.48) POLBNPC1MAPTALDH1A1KDM4E
SCHEMBL29638304 0.80 MAPT (0.48) POLBNPC1MAPTALDH1A1KDM4E
SCHEMBL6776849 0.79 MAPT (0.39) POLBNPC1MAPTRBP4ALDH1A1
SCHEMBL6776846 0.79 MAPT (0.39) POLBNPC1MAPTRBP4ALDH1A1
SCHEMBL8130335 0.79 NPC1 (0.50) POLBNPC1MAPTRBP4ALDH1A1
SCHEMBL8123257 0.79 EGFR (0.41) ALDH1A1GAAKDM4EGLASIRT3
SCHEMBL28101840 0.79 TDP1 (0.56) NPC1ALDH1A1GAAKDM4EGLA

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
CN-105451558-A Pyrazolyl pyrrolinones and their use as herbicides SYNGENTA PARTICIPATIONS AG 2016-03-30 CN disclosed
WO-2015018432-A1 PYRROLONE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 WO disclosed