SCHEMBL21835883

SCHEMBL21835883

O=C(CCC(=O)OC[C@H](S)CS)OC[C@H](S)CS

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NR1I2 O75469 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BLM P54132 1/20 0.32
PRKCA P17252 1/20 0.31

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
SCHEMBL2172101 0.92 LMNA (0.38) LMNAALDH1A1CYP3A4
SCHEMBL331859 0.91 LMNA (0.33) LMNAALDH1A1TDP1NR1I2CYP1A2
SCHEMBL27897055 0.87 ALDH1A1 (0.43) LMNAALDH1A1TDP1MAPTTSHR
SCHEMBL5068252 0.86 HSD17B10 (0.39) LMNAALDH1A1TDP1NR1I2CYP1A2
SCHEMBL330897 0.86 HSD17B10 (0.39) LMNAALDH1A1TDP1NR1I2CYP1A2
SCHEMBL332035 0.86 LMNA (0.33) LMNAALDH1A1TDP1NR1I2CYP1A2
SCHEMBL330833 0.86 TSHR (0.34) LMNAALDH1A1TDP1NR1I2CYP1A2
SCHEMBL28597998 0.82 MAPT (0.35) LMNAALDH1A1TDP1MAPTTSHR
SCHEMBL22721833 0.82 ALDH1A1 (0.42) LMNAALDH1A1TDP1NR1I2CYP1A2
SCHEMBL28492459 0.81 SLC22A6 (0.34) LMNAALDH1A1TDP1SLC22A6MAPT

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-3856844-A1 LATEX STYRENE BUTADIENE POWDERS AND ASPHALT COMPOSITION COMPRISING SAID POWDER BASF SE (DE) 2021-08-04 EP disclosed
WO-2020068955-A1 LATEX STYRENE BUTADIENE POWDERS AND ASPHALT COMPOSITION COMPRISING SAID POWDER BASF SE (DE) 2020-04-02 WO disclosed