SCHEMBL19985027

SCHEMBL19985027

CCOC(=O)/C(=C/OC(O)C(C)=C(C)C)C1CCc2c(C)cccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GAA P10253 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DHODH Q02127 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
SCHEMBL19984900 0.86 FFAR1 (0.38) FFAR1L3MBTL1CYP3A4CYP2D6CA1
SCHEMBL23934559 0.86 PIN1 (0.38) FFAR1L3MBTL1MEN1KMT2A
SCHEMBL19985045 0.82 ALDH1A1 (0.39) FFAR1L3MBTL1CYP3A4MEN1KMT2A
SCHEMBL19984881 0.81 ANO1 (0.38) FFAR1MEN1KMT2A
SCHEMBL21538784 0.81 FFAR1 (0.41) FFAR1L3MBTL1CYP3A4CYP2D6CA1
SCHEMBL19985037 0.79 SSTR4 (0.34) L3MBTL1CYP3A4CA1CA2GAA
SCHEMBL19984885 0.78 SIGMAR1 (0.34) L3MBTL1CA1CA2GAAMEN1
SCHEMBL23934558 0.77 MTNR1B (0.39) CYP3A4CA1CA2KMT2A
SCHEMBL19984935 0.77 GLS (0.35) L3MBTL1GAAMEN1KMT2ANPSR1
SCHEMBL21538716 0.77 FFAR1 (0.35) FFAR1L3MBTL1CYP3A4CYP2D6CA1

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