SCHEMBL999962

SCHEMBL999962

O=C(O)CC(S)c1ccc(C(S)CC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.42
GABBR1 Q9UBS5 4/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 2/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD3 P35462 1/20 0.42
BLM P54132 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
FFAR1 O14842 3/20 0.40

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
SCHEMBL989866 0.91 CA2 (0.43) GABBR2GABBR1CYP2C9CYP2C19LMNA
SCHEMBL1171114 0.91 GABBR2 (0.53) GABBR2GABBR1CYP2C19LMNACYP2D6
SCHEMBL3007536 0.89 MME (0.42) MEN1KMT2ACYP1A2L3MBTL1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28282419 0.89 GABBR2 (0.52) GABBR2GABBR1CYP2C19LMNACYP2D6
SCHEMBL999043 0.85 GABBR2 (0.38) GABBR2GABBR1CYP2C9CYP2C19LMNA
Ethylene Glycol SCHEMBL1170971 0.85 GABBR2 (0.48) GABBR2GABBR1CYP2C19LMNACYP2D6
SCHEMBL2332959 0.84 FFAR1 (0.52) FFAR1
SCHEMBL999007 0.82 GABBR2 (0.46) GABBR2GABBR1CYP2C19CYP2D6KMT2A
SCHEMBL23340741 0.80 EPHX2 (0.44) KMT2AL3MBTL1ALDH1A1POLBTDP1
Glycerin SCHEMBL3192940 0.80 GABBR2 (0.44) GABBR2GABBR1CYP2C19LMNAGAA

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