SCHEMBL19354550

SCHEMBL19354550

Cc1cccc(C(=O)OCCN2CCC(F)(F)C2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
SLC29A1 Q99808 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL19354544 0.93 L3MBTL1 (0.69) L3MBTL1NPSR1RAB9ANPC1MAPT
SCHEMBL19321987 0.85 HRH3 (0.46) L3MBTL1NPSR1HRH3SLC29A1MEN1
SCHEMBL9937837 0.82 NPSR1 (0.47) L3MBTL1NPSR1HRH3HTR2AHTR2C
SCHEMBL10084676 0.81 L3MBTL1 (0.77) L3MBTL1NPSR1RAB9ANPC1MAPT
SCHEMBL17213613 0.80 L3MBTL1 (0.75) L3MBTL1NPSR1RAB9ANPC1HRH3
SCHEMBL19317315 0.80 HRH3 (0.42) L3MBTL1NPSR1MAPTHRH3HTR2A
SCHEMBL10084675 0.78 L3MBTL1 (0.97) L3MBTL1NPSR1RAB9ANPC1MEN1
SCHEMBL19321989 0.77 HRH3 (0.50) L3MBTL1NPSR1HRH3SLC29A1MEN1
SCHEMBL19354720 0.77 HRH3 (0.39) L3MBTL1NPSR1HRH3SLC29A1MEN1
SCHEMBL9044225 0.75 L3MBTL1 (0.61) L3MBTL1RAB9ANPC1ADRB2ADRB1

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