SCHEMBL7653046

SCHEMBL7653046

CC(C)[C@H]1COC(=[Se])N1C(=O)COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.44
GRM5 P41594 8/20 0.43
FAAH O00519 2/20 0.41
IDH1 O75874 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7359514 0.87 IL6ST (0.55) IL6STGRM5FAAHIDH1
SCHEMBL7359508 0.87 IL6ST (0.55) IL6STGRM5FAAHIDH1
SCHEMBL7656852 0.80 IL6ST (0.43) IL6ST
SCHEMBL7659824 0.78 IL6ST (0.45) IL6STIDH1
SCHEMBL7652797 0.77 IL6ST (0.44) IL6STIDH1
SCHEMBL7654809 0.76 IL6ST (0.43) IL6STIDH1ALDH1A1
SCHEMBL30984014 0.75 NAAA (0.51) IL6STFAAHIDH1
SCHEMBL7652948 0.75 IL6ST (0.42) IL6STIDH1
SCHEMBL2072708 0.74 NAAA (0.53) IL6STFAAHIDH1
SCHEMBL6598726 0.74 NAAA (0.53) IL6STFAAHIDH1

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