SCHEMBL8712649

SCHEMBL8712649

CC(=O)c1ccc(C(=O)SSC(=O)c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 5/20 0.52
RAB9A P51151 4/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B1 P14061 1/20 0.50
MAPK1 P28482 2/20 0.46
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NPC1 O15118 3/20 0.45
STAT3 P40763 1/20 0.45
STAT1 P42224 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.43
XDH P47989 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
STS P08842 1/20 0.42

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
SCHEMBL50646 0.83 MAPT (0.68) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL777846 0.79 ALDH1A1 (0.59) HPGDLMNAMAPTRAB9AKMT2A
Acetic Acid SCHEMBL28009208 0.77 MAPT (0.67) HPGDLMNAL3MBTL1MAPTRAB9A
Benzene SCHEMBL5533098 0.77 MAPT (0.75) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL8712153 0.76 MAPT (0.57) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL8715068 0.76 TSHR (0.67) SMN1; SMN2ALDH1A1
SCHEMBL23691954 0.75 MAPT (0.59) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL14211973 0.75 CES2 (0.60) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL15339369 0.75 CES2 (0.60) HPGDLMNAL3MBTL1MAPTRAB9A
SCHEMBL131397 0.75 LMNA (0.60) HPGDLMNAL3MBTL1MAPTRAB9A

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