SCHEMBL23934292

SCHEMBL23934292

C/C=C(/C)C(=O)OO/C=C(/C(=O)NC)C1CCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.40
PDPK1 O15530 1/20 0.35
KCNQ2 O43526 1/20 0.35
ANO1 Q5XXA6 2/20 0.33
CHRM4 P08173 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
GFRA2 O00451 1/20 0.33
GFRA3 O60609 1/20 0.33
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
PPIB P23284 1/20 0.32
PPIA P62937 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL19984887 0.78 PIN1 (0.47) PIN1PDPK1KCNQ2ANO1
SCHEMBL19984933 0.77 PIN1 (0.40) PIN1PDPK1KCNQ2ANO1GFRA2
SCHEMBL19984930 0.72 NFE2L2 (0.39) PIN1PDPK1KCNQ2PPIBPPIA
SCHEMBL19984921 0.72 NFE2L2 (0.39) PIN1PDPK1KCNQ2PPIBPPIA
SCHEMBL21538767 0.71 PIN1 (0.52) PIN1PDPK1KCNQ2ANO1PDE4A
SCHEMBL10469672 0.69 PIN1 (0.54) PIN1PDPK1KCNQ2ANO1PDE4A
SCHEMBL8301042 0.69 PIN1 (0.47) PIN1KCNQ2ANO1MTNR1AMTNR1B
SCHEMBL23934491 0.69 CCR2 (0.35) PIN1ANO1GFRA2GFRA3PPIB
SCHEMBL8848989 0.67 PIN1 (0.58) PIN1PDPK1KCNQ2ANO1MTNR1A
SCHEMBL4742598 0.67 PIN1 (0.58) PIN1PDPK1KCNQ2ANO1MTNR1A

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
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed