SCHEMBL7839646

SCHEMBL7839646

COC(=O)CCCC(=O)NCCCCCC1CCSS1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
BCHE P06276 9/20 0.54
ACHE P22303 8/20 0.54
CAPN1 P07384 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.49
TARDBP Q13148 2/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL7842227 0.96 CA12 (0.63) CA12CA9BCHEACHECAPN1
SCHEMBL7841104 0.94 CA12 (0.63) CA12CA9BCHEACHECAPN1
SCHEMBL7841527 0.94 CA12 (0.57) CA12CA9BCHEACHECAPN1
SCHEMBL7841701 0.90 CA12 (0.61) CA12CA9BCHEACHECAPN1
SCHEMBL7840915 0.87 ACHE (0.55) CA12CA9BCHEACHECAPN1
SCHEMBL7841737 0.87 ACHE (0.51) CA12CA9BCHEACHECAPN1
SCHEMBL7838460 0.86 ACHE (0.68) CA12CA9BCHEACHECAPN1
SCHEMBL7839666 0.86 RECQL (0.57) CA12CA9BCHEACHECAPN1
SCHEMBL12972713 0.85 HSD17B10 (0.66) CA12CA9BCHEACHEHSD17B10
SCHEMBL9910052 0.85 HSD17B10 (0.66) CA12CA9BCHEACHEHSD17B10

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
US-6313164-B1 TO ENHANCE THE ACTIVITY OF GLUTATHIONE RECLUCTASE; FOR THERAPY AND PROPHYLAXIS OF CARTARACTS SANKYO COMPANY, LIMITED (JP) 2001-11-06 US disclosed
EP-1070710-A2 Dithiolan derivatives, their preparation and their therapeutic effect Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-6013663-A CATARACT THERAPY OR PREVENTION SANKYO COMPANY, LIMITED (JP) 2000-01-11 US disclosed
CN-1208035-A Dithiolan derivatives, their preparation and their therapeutic effect SANKYO CO (JP) 1999-02-17 CN disclosed