SCHEMBL9320048

SCHEMBL9320048

O=C(O)CC(O)(CC(=O)OCC(S)(S)S)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
SLC13A5 Q86YT5 4/20 0.32
CYP2D6 P10635 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
ACLY P53396 3/20 0.31
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL424422 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL30163090 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL28654759 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL426934 0.80 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL5059644 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL424483 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL591543 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL31069901 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTLMNATSHR
Ethylene SCHEMBL10931218 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL426260 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTLMNATSHR

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-5310826-A Thiolic compound polymerization cocatalysts AKZO N.V. (NL) 1994-05-10 US disclosed
EP-0470139-B1 THIOLIC COMPOUND POLYMERIZATION COCATALYSTS AKZO NV (NL) 1994-01-05 EP disclosed
EP-0470139-A1 THIOLIC COMPOUND POLYMERIZATION COCATALYSTS. AKZO NV (NL) 1992-02-12 EP disclosed
WO-1990012826-A1 THIOLIC COMPOUND POLYMERIZATION COCATALYSTS AKZO N.V. (NL) 1990-11-01 WO disclosed