SCHEMBL19985047

SCHEMBL19985047

CCOC(=O)/C(=C/OC(O)C=C(C)C)C1CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.38
ANO1 Q5XXA6 2/20 0.36
FFAR1 O14842 2/20 0.34
ACKR3 P25106 1/20 0.34
KCNQ2 O43526 1/20 0.33
ACHE P22303 1/20 0.33
PTGS2 P35354 1/20 0.33
NTRK1 P04629 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL19984919 0.94 PRMT5 (0.38) ANO1FFAR1MEN1KMT2A
SCHEMBL19985041 0.93 ANO1 (0.38) ANO1FFAR1MEN1KMT2A
SCHEMBL23934480 0.88 PIN1 (0.43) PIN1ANO1KCNQ2MEN1KMT2A
SCHEMBL19984900 0.86 FFAR1 (0.38) FFAR1L3MBTL1MEN1KMT2A
SCHEMBL23934559 0.85 PIN1 (0.38) PIN1ANO1FFAR1ACKR3KCNQ2
SCHEMBL19984933 0.83 PIN1 (0.40) PIN1ANO1KCNQ2
SCHEMBL23934483 0.83 MTNR1B (0.39) KMT2A
SCHEMBL19984893 0.82 SIGMAR1 (0.32) L3MBTL1MEN1KMT2A
SCHEMBL19985009 0.82 FFAR1 (0.40) FFAR1ACHEL3MBTL1KMT2A
SCHEMBL23934524 0.81 ADRA2A (0.39) ACHEL3MBTL1MEN1KMT2A

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