SCHEMBL999007

SCHEMBL999007

O=C(O)CC(S)c1cccc(C(S)CC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
CYP2C19 P33261 2/20 0.42
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
CPB2 Q96IY4 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CPN1 P15169 1/20 0.40
CTSA P10619 2/20 0.38
FOLH1 Q04609 1/20 0.38
MAPT P10636 1/20 0.38
CPA1 P15085 2/20 0.37
CPB1 P15086 1/20 0.37
CPA3 P15088 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL28939560 0.87 CTSA (0.50) GABBR2GABBR1SMN1; SMN2CTSA
SCHEMBL1171114 0.87 GABBR2 (0.53) GABBR2GABBR1CYP2C19CPB2MAPT
SCHEMBL999043 0.87 GABBR2 (0.38) GABBR2GABBR1CYP2C19CPB2KMT2A
Hydrogen Sulfide SCHEMBL28282419 0.85 GABBR2 (0.52) GABBR2GABBR1CYP2C19CPB2MAPT
SCHEMBL999962 0.82 GABBR2 (0.42) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
Ethylene Glycol SCHEMBL1170971 0.82 GABBR2 (0.48) GABBR2GABBR1CYP2C19CPB2MAPT
Glycerin SCHEMBL3210246 0.77 GABBR2 (0.44) GABBR2GABBR1CYP2C19CPB2MAPT
SCHEMBL1171446 0.77 GABBR2 (0.44) GABBR2GABBR1CYP2C19CPB2MAPT
SCHEMBL1171222 0.77 GABBR2 (0.44) GABBR2GABBR1CYP2C19CPB2MAPT
Glycerin SCHEMBL3192940 0.77 GABBR2 (0.44) GABBR2GABBR1CYP2C19CPB2MAPT

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