SCHEMBL20893299

SCHEMBL20893299

CC1CCC(n2cnc(/C=C(\CCCNC(=O)OC(C)(C)C)C(=O)O)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 12/20 0.39
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
GFER P55789 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL19447714 1.00 CPB2 (0.39) CPB2SIGMAR1MEN1GAAKMT2A
SCHEMBL14630714 1.00 CPB2 (0.39) CPB2SIGMAR1MEN1GAAKMT2A
SCHEMBL14630711 1.00 CPB2 (0.39) CPB2SIGMAR1MEN1GAAKMT2A
SCHEMBL14630708 1.00 CPB2 (0.39) CPB2SIGMAR1MEN1GAAKMT2A
SCHEMBL14631226 0.93 CPB2 (0.38) CPB2SIGMAR1MEN1GAAKMT2A
SCHEMBL14631230 0.93 CPB2 (0.38) CPB2SIGMAR1MEN1GAAKMT2A
SCHEMBL14631228 0.93 CPB2 (0.38) CPB2SIGMAR1MEN1GAAKMT2A
SCHEMBL28336007 0.92 CPB2 (0.36) CPB2SIGMAR1GFERSTK17BSTK17A
SCHEMBL19159434 0.92 CPB2 (0.36) CPB2SIGMAR1GFERSTK17BSTK17A
SCHEMBL14653711 0.92 CPB2 (0.36) CPB2SIGMAR1GFERSTK17BSTK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470399-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE VALERIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2020-11-04 EP disclosed
EP-3196192-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE VALERIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2019-07-03 EP disclosed
EP-3470399-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE VALERIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2019-04-17 EP disclosed