SCHEMBL7652948

SCHEMBL7652948

CC=CC(O)C(OCc1ccccc1)C(=O)N1C(=[Se])OC[C@@H]1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.42
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
RCE1 Q9Y256 1/20 0.33
ELANE P08246 3/20 0.32
IDH1 O75874 2/20 0.32
STAT3 P40763 1/20 0.32
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
PREP P48147 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
SCHEMBL7659824 0.86 IL6ST (0.45) IL6STSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7652797 0.85 IL6ST (0.44) IL6STSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7654809 0.83 IL6ST (0.43) IL6STSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7656852 0.83 IL6ST (0.43) IL6STSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7652789 0.82 IL6ST (0.42) IL6STSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7653046 0.75 IL6ST (0.44) IL6STIDH1
SCHEMBL9457692 0.67 SLC1A2 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL9457688 0.67 SLC1A2 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL17896233 0.66 RCE1 (0.65) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL21985390 0.66 RCE1 (0.65) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448409-B1 ACYLATION OF AN 2-OXAZOLIDINESELONE WITH AN ALKYL ACYLHALIDE AND HYDROXYLATION WITH AN ALDEHYDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-10 US disclosed