SCHEMBL13714968

SCHEMBL13714968

CC(=S)Nc1ccc(P(=O)(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.52
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA5A P35218 1/20 0.46
SRC P12931 1/20 0.41
GAA P10253 3/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
EPHX1 P07099 3/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
BRD4 O60885 1/20 0.36
NR1I2 O75469 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
SCHEMBL3899943 0.84 ALDH1A1 (0.52) TAS2R38CA2CA4CA5AGAA
SCHEMBL3897654 0.82 ALDH1A1 (0.50) TAS2R38CA2CA4CA5AGAA
SCHEMBL8887300 0.82 SMN1; SMN2 (0.59) CA2CA4ALDH1A1MAPTKMT2A
SCHEMBL14511451 0.80 TAS2R38 (0.75) TAS2R38CA2CA4GAAALDH1A1
SCHEMBL13714954 0.78 DGAT1 (0.44) TAS2R38SRCGAAALDH1A1MAPT
SCHEMBL13715092 0.76 SRC (0.47) TAS2R38CA2SRCALDH1A1MAPT
SCHEMBL13715008 0.76 ENPP2 (0.54) TAS2R38SRCTSHR
SCHEMBL28618160 0.76 MAPT (0.57) CA2CA4CA5ASRCALDH1A1
SCHEMBL13715088 0.75 LTA4H (0.46) TAS2R38CA2CA4CA5ASRC
SCHEMBL11163447 0.74 CA2 (0.54) CA2CA4CA5AALDH1A1TSHR

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
US-7572459-B2 Prevention infections in humans, animals STARPHARMA PTY LTD. (AU) 2009-08-11 US disclosed