SCHEMBL19984933

SCHEMBL19984933

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.40
ANO1 Q5XXA6 2/20 0.35
PDPK1 O15530 1/20 0.35
KCNQ2 O43526 1/20 0.34
GRM7 Q14831 1/20 0.33
GFRA2 O00451 1/20 0.33
GFRA3 O60609 1/20 0.33
SLC18A3 Q16572 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL23934480 0.88 PIN1 (0.43) PIN1ANO1KCNQ2PDE4APDE4B
SCHEMBL19985047 0.83 PIN1 (0.38) PIN1ANO1KCNQ2
SCHEMBL23934491 0.79 CCR2 (0.35) PIN1ANO1GFRA2GFRA3
SCHEMBL19984887 0.77 PIN1 (0.47) PIN1ANO1PDPK1KCNQ2
SCHEMBL19984919 0.77 PRMT5 (0.38) ANO1
SCHEMBL23934292 0.77 PIN1 (0.40) PIN1ANO1PDPK1KCNQ2GFRA2
SCHEMBL19985041 0.76 ANO1 (0.38) ANO1
SCHEMBL23934499 0.72 PIN1 (0.43) PIN1ANO1KCNQ2PDE4APDE4B
SCHEMBL19984930 0.72 NFE2L2 (0.39) PIN1PDPK1KCNQ2
SCHEMBL19984921 0.72 NFE2L2 (0.39) PIN1PDPK1KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
WO-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed