SCHEMBL19984885

SCHEMBL19984885

CCOC(=O)/C(=C/OC(O)C(C)=C(C)C)C1CCC(C)(C)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
APP P05067 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRIN2B Q13224 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL19984893 0.86 SIGMAR1 (0.32) SIGMAR1ALDH1A1L3MBTL1MAPTOPRM1
SCHEMBL23934522 0.83 SIGMAR1 (0.32) SIGMAR1ALDH1A1L3MBTL1MAPTOPRM1
SCHEMBL23934559 0.82 PIN1 (0.38) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21538718 0.81 L3MBTL1 (0.38) SIGMAR1ALDH1A1L3MBTL1MAPTOPRM1
SCHEMBL19985045 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL19985037 0.80 SSTR4 (0.34) ALDH1A1L3MBTL1MAPTGAASMN1; SMN2
SCHEMBL19984881 0.80 ANO1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL19985027 0.78 FFAR1 (0.38) L3MBTL1GAACA1CA2MEN1
SCHEMBL21538772 0.77 SIGMAR1 (0.33) SIGMAR1ALDH1A1L3MBTL1MAPTOPRM1
SCHEMBL19984935 0.77 GLS (0.35) ALDH1A1L3MBTL1MAPTGAASMN1; SMN2

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
WO-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed