SCHEMBL4786291

SCHEMBL4786291

O=C(O)CSSC(O)CO

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 1/20 0.38
OR51E2 Q9H255 1/20 0.35
LMNA P02545 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
TSHR P16473 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
PHGDH O43175 1/20 0.30

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
SCHEMBL2445413 0.74 CYP2D6 (0.42) CYP2D6CYP2C19HIF1AOR51E2LMNA
SCHEMBL6584919 0.70
SCHEMBL11306188 0.70
SCHEMBL28390774 0.69 LMNA (0.40) OR51E2LMNATSHR
SCHEMBL298385 0.69 CYP2D6 (1.00) CYP2D6CYP2C19HIF1AOR51E2LMNA
Ammonia Solution, Strong SCHEMBL27893881 0.67 CYP2D6 (0.92) CYP2D6CYP2C19HIF1AOR51E2LMNA
Hydrochloric Acid SCHEMBL11150442 0.67 CYP2D6 (0.92) CYP2D6CYP2C19HIF1AOR51E2LMNA
Ethylene SCHEMBL28577445 0.64 CYP2D6 (0.86) CYP2D6CYP2C19HIF1AOR51E2LMNA
SCHEMBL3815956 0.64 CYP2D6 (0.73) CYP2D6CYP2C19HIF1AOR51E2LMNA
SCHEMBL11689194 0.62 CYP2D6 (0.50) CYP2D6CYP2C19HIF1AOR51E2LMNA

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
WO-2008101542-A1 SYNTHETIC POLYAMINO ACIDS, METHOD OF THEIR PRODUCTION AND USE THEREOF PROBIOGEN AG (DE) 2008-08-28 WO claimed
WO-2008101542-A1 SYNTHETIC POLYAMINO ACIDS, METHOD OF THEIR PRODUCTION AND USE THEREOF PROBIOGEN AG (DE) 2008-08-28 WO disclosed