SCHEMBL29009084

SCHEMBL29009084

CCCCC(C)OC(=O)CS

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
EPHX2 P34913 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.36
NAAA Q02083 1/20 0.36
CTSK P43235 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
SCHEMBL28774297 0.94 FAAH (0.58) FAAHCNR1CNR2LMNAMAPT
SCHEMBL11586771 0.85 TSHR (0.46) FAAHCNR1CNR2LMNAMAPT
SCHEMBL9512587 0.84 FAAH (0.40) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL905488 0.83 FAAH (0.64) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL905446 0.83 FAAH (0.64) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL6789916 0.83 FAAH (0.54) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL1713745 0.83 FAAH (0.54) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL3707005 0.82 LMNA (0.57) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL2449155 0.82 LMNA (0.62) FAAHCNR1CNR2EPHX2LMNA
SCHEMBL10900230 0.82 FAAH (0.53) FAAHCNR1CNR2EPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700642-A Dispersed polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2024-03-15 CN disclosed
CN-116692089-B Automatic weighing and filling equipment for isooctyl thioglycolate auxiliary agent 山东群鑫助剂有限公司 2023-10-20 CN disclosed
CN-116692089-A Automatic weighing and filling equipment for isooctyl thioglycolate auxiliary agent 山东群鑫助剂有限公司 2023-09-05 CN disclosed
CN-116216831-A Treatment method of isooctyl thioglycolate wastewater 西安蓝深新材料科技股份有限公司 2023-06-06 CN disclosed