SCHEMBL28159673

SCHEMBL28159673

CC([O])Cc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.61
SLC6A3 Q01959 2/20 0.61
SLC6A4 P31645 2/20 0.54
ACACB O00763 1/20 0.49
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
IDO1 P14902 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
CHRNA4 P43681 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
FPR2 P25090 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4010409 0.81 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL764989 0.80 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4IDO1HTR2A
SCHEMBL9481327 0.80 SLC6A4 (0.58) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL2326795 0.78 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL2558920 0.77 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL2320829 0.77 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL4158699 0.76 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL8852176 0.76 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL4161150 0.76 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4ACACBPPARG
SCHEMBL22229845 0.76 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4TAAR1

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
CN-104262345-B For the CARBA nucleoside analogs of 1 ' substitution of antiviral therapy 吉利德科学公司 2017-06-23 CN disclosed