SCHEMBL19354544

SCHEMBL19354544

Cc1cccc(C(=O)OCCN2CCC(F)(F)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
MAPT P10636 1/20 0.49
SLC29A1 Q99808 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
LDHA P00338 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL19354550 0.93 L3MBTL1 (0.63) L3MBTL1NPSR1RAB9ANPC1HRH3
SCHEMBL10084676 0.86 L3MBTL1 (0.77) L3MBTL1NPSR1RAB9ANPC1HRH3
SCHEMBL17213613 0.85 L3MBTL1 (0.75) L3MBTL1NPSR1RAB9ANPC1HRH3
SCHEMBL19321989 0.84 HRH3 (0.50) L3MBTL1NPSR1HRH3SLC29A1MEN1
SCHEMBL10084675 0.82 L3MBTL1 (0.97) L3MBTL1NPSR1RAB9ANPC1MEN1
SCHEMBL19317323 0.80 HRH3 (0.46) L3MBTL1NPSR1HRH3MAPTSLC29A1
SCHEMBL19354719 0.78 HRH3 (0.45) L3MBTL1NPSR1HRH3MAPTSLC29A1
SCHEMBL19321987 0.77 HRH3 (0.46) L3MBTL1NPSR1HRH3SLC29A1MEN1
SCHEMBL9044225 0.77 L3MBTL1 (0.61) L3MBTL1RAB9ANPC1ADRB2ADRB1
SCHEMBL19354545 0.76 L3MBTL1 (0.84) L3MBTL1NPSR1KMT2ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed