SCHEMBL27521908

SCHEMBL27521908

C=C(C(=O)ONC(=O)OCC)S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 3/20 0.33
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31
RECQL P46063 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
THRB P10828 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL1174173 0.79 ALDH1A1 (0.47) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL14976946 0.78 ALDH1A1 (0.38) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL27727120 0.78 ALOX15 (0.43) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL28623879 0.78 ALDH1A1 (0.38) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL20815 0.78 THRB (0.46) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL27476024 0.77 ALDH1A1 (0.37) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL28164018 0.77 ALDH1A1 (0.37) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL27869388 0.77 ALDH1A1 (0.37) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL1403785 0.77 ALDH1A1 (0.37) ALDH1A1TSHRGAAALOX15MGAM
SCHEMBL23301669 0.75 ALDH1A1 (0.36) ALDH1A1TSHRGAAALOX15MGAM

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
CN-1276934-C Resin composition containing ultrafine inorganic particle MITSUI CHEMICALS INC (JP) 2006-09-27 CN disclosed
CN-1675267-A Resin composition containing ultrafine inorganic particles MITSUI CHEMICALS INC (JP) 2005-09-28 CN disclosed