SCHEMBL999043

SCHEMBL999043

O=C(O)CC(S)c1cc(C(S)CC(=O)O)cc(C(S)CC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.38
GABBR1 Q9UBS5 4/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
NFKB1 P19838 1/20 0.34
DRD3 P35462 1/20 0.34
BLM P54132 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CPA1 P15085 2/20 0.33

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
SCHEMBL999007 0.87 GABBR2 (0.46) GABBR2GABBR1SMN1; SMN2CYP2C19CYP2D6
SCHEMBL999962 0.85 GABBR2 (0.42) GABBR2GABBR1TDP1SMN1; SMN2LMNA
SCHEMBL1171114 0.81 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C19CYP2D6
Hydrogen Sulfide SCHEMBL28282419 0.79 GABBR2 (0.52) GABBR2GABBR1LMNACYP2C19CYP2D6
SCHEMBL989866 0.78 CA2 (0.43) GABBR2GABBR1TDP1LMNACYP2C9
SCHEMBL325875 0.78 GLRA3 (0.44) GABBR2GABBR1TDP1SMN1; SMN2LMNA
Ethylene Glycol SCHEMBL1170971 0.76 GABBR2 (0.48) GABBR2GABBR1LMNACYP2C19CYP2D6
SCHEMBL3007536 0.76 MME (0.42) SMN1; SMN2CYP1A2MEN1KMT2AL3MBTL1
SCHEMBL28939560 0.75 CTSA (0.50) GABBR2GABBR1SMN1; SMN2ALDH1A1GAA
Glycerin SCHEMBL3192940 0.72 GABBR2 (0.44) GABBR2GABBR1SLC22A6LMNACYP2C19

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-10040947-B2 Primer composition MITSUI CHEMICALS, INC. (JP) 2018-08-07 US disclosed
EP-2258780-B1 PRIMER COMPOSITION MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-20110014483-A1 PRIMER COMPOSITION MITSUI CHEMICALS, INC. 2011-01-20 US disclosed
EP-2258780-A1 PRIMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-12-08 EP disclosed