SCHEMBL8079183

SCHEMBL8079183

CCOC(=S)S.CCOC(=S)S.[KH].[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2E1 P05181 1/20 0.35
PTGS1 P23219 1/20 0.35
HTT P42858 1/20 0.35
GSDMD P57764 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35

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
SCHEMBL27917720 1.00
SCHEMBL41205 1.00
SCHEMBL5690 0.97
SCHEMBL8198721 0.97 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2C9HPGDCA12
SCHEMBL25184387 0.94
SCHEMBL180630 0.94
SCHEMBL6228085 0.94
SCHEMBL21693721 0.94
SCHEMBL9340082 0.94
Hydrogen Sulfide SCHEMBL11582216 0.94 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2C9HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed