SCHEMBL9106592

SCHEMBL9106592

CCC[C@@H](CC(=O)OC)Sc1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MIF P14174 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
HSPA5 P11021 1/20 0.33
HDAC3 O15379 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3928398 0.88 GAA (0.40) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL3927048 0.85 GAA (0.39) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL9738451 0.85 HPGD (0.37) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL8794253 0.83 MAPT (0.37) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL28814775 0.80 RAB9A (0.41) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL28814793 0.80 RAB9A (0.41) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL7760354 0.80 RAB9A (0.41) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL3929831 0.78 GAA (0.39) HPGDMAPTTSHRL3MBTL1ALDH1A1
SCHEMBL3924427 0.76 GAA (0.38) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL13956712 0.75 GAA (0.39) NPC1RAB9ASMN1; SMN2HPGDTP53

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-5474919-A Bioconversion process for the synthesis of transhydroxy sulfone by Rhodotorula rubra or Rhodotorula piliminae MERCK & CO., INC. (US) 1995-12-12 US disclosed