SCHEMBL19984900

SCHEMBL19984900

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
GAA P10253 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
OPRL1 P41146 1/20 0.31
KCNH2 Q12809 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PDE10A Q9Y233 1/20 0.31
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
SCHEMBL19985009 0.88 FFAR1 (0.40) FFAR1GAAL3MBTL1KMT2ANPSR1
SCHEMBL19985027 0.86 FFAR1 (0.38) FFAR1GAAL3MBTL1CYP3A4CYP2D6
SCHEMBL19985047 0.86 PIN1 (0.38) FFAR1L3MBTL1MEN1KMT2A
SCHEMBL19984919 0.82 PRMT5 (0.38) FFAR1CYP3A4MEN1KMT2A
SCHEMBL19985041 0.81 ANO1 (0.38) FFAR1MEN1KMT2A
SCHEMBL21538784 0.81 FFAR1 (0.41) FFAR1GAAL3MBTL1CYP3A4CYP2D6
SCHEMBL19984893 0.78 SIGMAR1 (0.32) GAAL3MBTL1OPRL1CA1CA2
SCHEMBL23934483 0.77 MTNR1B (0.39) CYP3A4KCNH2KMT2A
SCHEMBL19984877 0.77 TSHR (0.37) GAAL3MBTL1MEN1KMT2ANPSR1
SCHEMBL21538716 0.77 FFAR1 (0.35) FFAR1GAAL3MBTL1CYP3A4CYP2D6

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