SCHEMBL8713246

SCHEMBL8713246

CC(=O)c1ccc(C(=S)S)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HSD17B1 P14061 1/20 0.48
MAPK1 P28482 2/20 0.45
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
STS P08842 1/20 0.41

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
SCHEMBL2773466 0.81 CA1 (0.36) SMN1; SMN2
SCHEMBL50646 0.81 MAPT (0.68) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL8716212 0.79 ESR1 (0.33) SMN1; SMN2
Acetophenone SCHEMBL28331457 0.78 SMN1; SMN2 (0.58) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL8719323 0.78 ALDH1A1 (0.51) MAPTHPGDRAB9ALMNAKMT2A
SCHEMBL29138676 0.77 MAPT (0.56) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL8715865 0.77 TSHR (0.63) SMN1; SMN2ALDH1A1
SCHEMBL28318577 0.76 CA12 (0.52) MAPTL3MBTL1SMN1; SMN2ALDH1A1TDP1
Benzene SCHEMBL5533098 0.75 MAPT (0.75) MAPTHPGDRAB9ALMNAL3MBTL1
Acetic Acid SCHEMBL28009208 0.75 MAPT (0.67) MAPTHPGDRAB9ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847061-A Process for producing polymers having terminal functional group which may be protected KURARAY CO., LTD. (JP) 1998-12-08 US disclosed
EP-0704460-B1 PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP KURARAY CO (JP) 1998-11-04 EP disclosed
EP-0704460-A1 PROCESS FOR PRODUCING POLYMER TERMINATED WITH OPTIONALLY PROTECTED FUNCTIONAL GROUP KURARAY CO., LTD. (JP) 1996-04-03 EP disclosed